(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide

C19H20N2O4 — CID 763346

IUPAC(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C#N)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H20N2O4/c1-23-16-6-4-5-15(11-16)21-19(22)14(12-20)9-13-7-8-17(24-2)18(10-13)25-3/h4-8,10-11,14H,9H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyGBQSKLJRINABSV-AWEZNQCLSA-N
MW340.38 g/mol
LogP3.03
Rot. Bonds7

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

(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide (PubChem CID 763346) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
PubChem CID763346
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C#N)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H20N2O4/c1-23-16-6-4-5-15(11-16)21-19(22)14(12-20)9-13-7-8-17(24-2)18(10-13)25-3/h4-8,10-11,14H,9H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyGBQSKLJRINABSV-AWEZNQCLSA-N
XLogP3.03
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 7119786
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
(2R)-2-cyano-3-(3,4-dimethoxyphenyl)propanoic acid
CID 27282038
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide
CID 863471
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
(2R)-2-cyano-3-[4-[(3,4-dichlorophenoxy)methyl]-3-ethoxyphenyl]-N-(3-ethoxyphenyl)propanamide
CID 27876869
(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 7303724
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide (CID 763346) is (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C#N)Cc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is GBQSKLJRINABSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-6-4-5-15(11-16)21-19(22)14(12-20)9-13-7-8-17(24-2)18(10-13)25-3/h4-8,10-11,14H,9H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide?
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 763346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).