(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide

C20H24N2O3 — CID 9438680

IUPAC(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(16-7-5-4-6-8-16)13-20(24)22(2)14-19(23)21-17-9-11-18(25-3)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyUAZONAACYYQIIN-HNNXBMFYSA-N
MW340.42 g/mol
LogP3.29
Rot. Bonds7

About (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide

(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide (PubChem CID 9438680) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
PubChem CID9438680
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(16-7-5-4-6-8-16)13-20(24)22(2)14-19(23)21-17-9-11-18(25-3)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyUAZONAACYYQIIN-HNNXBMFYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9438819
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
The IUPAC name of (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide (CID 9438680) is (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
The canonical SMILES for (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide is COc1ccc(NC(=O)CN(C)C(=O)C[C@H](C)c2ccccc2)cc1.
What is the InChIKey of (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
The InChIKey is UAZONAACYYQIIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(16-7-5-4-6-8-16)13-20(24)22(2)14-19(23)21-17-9-11-18(25-3)12-10-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide?
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide has a molecular weight of 340.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 9438680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).