2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide

C19H20N2O3 — CID 5005975

IUPAC2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cc(CC(C#N)C(=O)Nc2cc(C)ccc2C)ccc1O
InChIInChI=1S/C19H20N2O3/c1-12-4-5-13(2)16(8-12)21-19(23)15(11-20)9-14-6-7-17(22)18(10-14)24-3/h4-8,10,15,22H,9H2,1-3H3,(H,21,23)
InChIKeyGYWJKMPHHUYRGC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.34
Rot. Bonds5

About 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide

2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide (PubChem CID 5005975) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
PubChem CID5005975
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
SMILESCOc1cc(CC(C#N)C(=O)Nc2cc(C)ccc2C)ccc1O
InChIInChI=1S/C19H20N2O3/c1-12-4-5-13(2)16(8-12)21-19(23)15(11-20)9-14-6-7-17(22)18(10-14)24-3/h4-8,10,15,22H,9H2,1-3H3,(H,21,23)
InChIKeyGYWJKMPHHUYRGC-UHFFFAOYSA-N
XLogP3.34
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 7303724
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide
CID 863471
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 763346
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
(2R)-2-cyano-3-(3,4-dimethoxyphenyl)propanoic acid
CID 27282038
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109003069
(2R)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylsulfanylfuran-2-yl)-3-oxopropanamide
CID 98169079
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6242494
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2346573

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The IUPAC name of 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide (CID 5005975) is 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The canonical SMILES for 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide is COc1cc(CC(C#N)C(=O)Nc2cc(C)ccc2C)ccc1O.
What is the InChIKey of 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
The InChIKey is GYWJKMPHHUYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-4-5-13(2)16(8-12)21-19(23)15(11-20)9-14-6-7-17(22)18(10-14)24-3/h4-8,10,15,22H,9H2,1-3H3,(H,21,23).
What are the key properties of 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide?
2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 5005975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).