N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-ethylacetamide

Name: N-(3-(3-(Dimethylamino)acryloyl)phenyl)-N-ethylacetamide
SKU: PI96605662
Rating: 5 (1 reviews)

Cat. No.: PI96605662

Product Details Other Identifiers Computed Properties

CAS	96605-66-2
Purity	98%
Molecular Formula	C15H20N2O2
Molecular Weight	260.33
Molar Refractivity	77.5

Pubchem ID	11149633
InChI Key	UXWJJVRASIHSQS-MDZDMXLPSA-N
MDL Number	MFCD04117958

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	6
Topological Polar Surface Area	40.62 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.33
Log Po/w (iLOGP)	2.8
Log Po/w (XLOGP3)	1.7
Log Po/w (WLOGP)	2.32
Log Po/w (MLOGP)	1.61
Log Po/w (SILICOS-IT)	1.85
Consensus Log Po/w	2.06
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.68 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.42

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