4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide

C20H22N2O3 — CID 173165788

IUPAC4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)N(Cc1cccc(OC)c1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O3/c1-15(14-24-2)22(13-17-5-4-6-19(11-17)25-3)20(23)18-9-7-16(12-21)8-10-18/h4-11,15H,13-14H2,1-3H3
InChIKeyOKXLLSFGQFSTHY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds7

About 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide

4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 173165788) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
PubChem CID173165788
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)N(Cc1cccc(OC)c1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N2O3/c1-15(14-24-2)22(13-17-5-4-6-19(11-17)25-3)20(23)18-9-7-16(12-21)8-10-18/h4-11,15H,13-14H2,1-3H3
InChIKeyOKXLLSFGQFSTHY-UHFFFAOYSA-N
XLogP3.24
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74242325
[3-[[[(2S)-butan-2-yl]-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 7356679
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058429
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 9399132
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
4-[(E)-3-[(3-methoxyphenyl)methoxy]-1-methylsulfanylprop-1-en-2-yl]benzonitrile
CID 10544057
N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71107037

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide (CID 173165788) is 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide is COCC(C)N(Cc1cccc(OC)c1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is OKXLLSFGQFSTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(14-24-2)22(13-17-5-4-6-19(11-17)25-3)20(23)18-9-7-16(12-21)8-10-18/h4-11,15H,13-14H2,1-3H3.
What are the key properties of 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 173165788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).