(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide

C19H20N2O3 — CID 7303724

IUPAC(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCCc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C19H20N2O3/c1-3-14-6-4-5-7-16(14)21-19(23)15(12-20)10-13-8-9-17(22)18(11-13)24-2/h4-9,11,15,22H,3,10H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyFBDHMCCPZMTQSM-HNNXBMFYSA-N
MW324.38 g/mol
LogP3.28
Rot. Bonds6

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

(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide (PubChem CID 7303724) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
PubChem CID7303724
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCCc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C19H20N2O3/c1-3-14-6-4-5-7-16(14)21-19(23)15(12-20)10-13-8-9-17(22)18(11-13)24-2/h4-9,11,15,22H,3,10H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyFBDHMCCPZMTQSM-HNNXBMFYSA-N
XLogP3.28
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 5005975
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
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-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 763346
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide
CID 22019613
(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
N-(2-ethylphenyl)-2-hydroxy-6-methoxybenzamide
CID 84579103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide (CID 7303724) is (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide is CCc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(O)c(OC)c1.
What is the InChIKey of (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The InChIKey is FBDHMCCPZMTQSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-14-6-4-5-7-16(14)21-19(23)15(12-20)10-13-8-9-17(22)18(11-13)24-2/h4-9,11,15,22H,3,10H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 7303724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).