4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C18H18N2O2 — CID 9262341

IUPAC4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O2/c1-12-4-9-17(22-3)16(10-12)13(2)20-18(21)15-7-5-14(11-19)6-8-15/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyOJTBCYCUHWWBPK-CYBMUJFWSA-N
MW294.35 g/mol
LogP3.37
Rot. Bonds4

About 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 9262341) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID9262341
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O2/c1-12-4-9-17(22-3)16(10-12)13(2)20-18(21)15-7-5-14(11-19)6-8-15/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyOJTBCYCUHWWBPK-CYBMUJFWSA-N
XLogP3.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]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

4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 8895673
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9264258
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 9262341) is 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is OJTBCYCUHWWBPK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-4-9-17(22-3)16(10-12)13(2)20-18(21)15-7-5-14(11-19)6-8-15/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 9262341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).