(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide

C18H18N2O2 — CID 763342

IUPAC(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(C)cc1
InChIInChI=1S/C18H18N2O2/c1-13-7-9-14(10-8-13)11-15(12-19)18(21)20-16-5-3-4-6-17(16)22-2/h3-10,15H,11H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVGQVGDRDKFPINC-HNNXBMFYSA-N
MW294.35 g/mol
LogP3.32
Rot. Bonds5

About (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide

(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide (PubChem CID 763342) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
PubChem CID763342
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(C)cc1
InChIInChI=1S/C18H18N2O2/c1-13-7-9-14(10-8-13)11-15(12-19)18(21)20-16-5-3-4-6-17(16)22-2/h3-10,15H,11H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVGQVGDRDKFPINC-HNNXBMFYSA-N
XLogP3.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 7303724
2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 5005975
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 3169304
(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 1140234
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
CID 82118130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide (CID 763342) is (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide is COc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(C)cc1.
What is the InChIKey of (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is VGQVGDRDKFPINC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-9-14(10-8-13)11-15(12-19)18(21)20-16-5-3-4-6-17(16)22-2/h3-10,15H,11H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide?
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 763342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).