(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide

C19H22N2O4 — CID 95616058

IUPAC(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)[C@@H](C)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-13(14-7-9-17(25-3)10-8-14)19(23)21-16-6-4-5-15(11-16)20-18(22)12-24-2/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyYKUCKFHGMBNLEE-ZDUSSCGKSA-N
MW342.40 g/mol
LogP3.02
Rot. Bonds7

About (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide

(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide (PubChem CID 95616058) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
PubChem CID95616058
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)[C@@H](C)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-13(14-7-9-17(25-3)10-8-14)19(23)21-16-6-4-5-15(11-16)20-18(22)12-24-2/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyYKUCKFHGMBNLEE-ZDUSSCGKSA-N
XLogP3.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 84594498
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54790136
N-[3-[[2-(3-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 87016346
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-methoxy-N-[3-(2-methylpentan-3-ylamino)phenyl]acetamide
CID 43784507
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841
N-(3-acetamidophenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 86924606
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 46671357
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide (CID 95616058) is (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide is COCC(=O)Nc1cccc(NC(=O)[C@@H](C)c2ccc(OC)cc2)c1.
What is the InChIKey of (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide?
The InChIKey is YKUCKFHGMBNLEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(14-7-9-17(25-3)10-8-14)19(23)21-16-6-4-5-15(11-16)20-18(22)12-24-2/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide?
(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 95616058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).