(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide

C24H25N3O4 — CID 51961248

IUPAC(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O4/c1-30-19-13-14-21(31-2)20(15-19)27-22(28)16-25-23(17-9-5-3-6-10-17)24(29)26-18-11-7-4-8-12-18/h3-15,23,25H,16H2,1-2H3,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKeyKEEPJKZBABXXLO-QHCPKHFHSA-N
MW419.48 g/mol
LogP3.61
Rot. Bonds9

About (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide

(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide (PubChem CID 51961248) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide
PubChem CID51961248
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O4/c1-30-19-13-14-21(31-2)20(15-19)27-22(28)16-25-23(17-9-5-3-6-10-17)24(29)26-18-11-7-4-8-12-18/h3-15,23,25H,16H2,1-2H3,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKeyKEEPJKZBABXXLO-QHCPKHFHSA-N
XLogP3.61
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
N-(2,5-dimethoxyphenyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 17457335
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447
(2R)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2434114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide?
The IUPAC name of (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide (CID 51961248) is (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide.
What is the SMILES notation for (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide?
The canonical SMILES for (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide is COc1ccc(OC)c(NC(=O)CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide?
The InChIKey is KEEPJKZBABXXLO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-19-13-14-21(31-2)20(15-19)27-22(28)16-25-23(17-9-5-3-6-10-17)24(29)26-18-11-7-4-8-12-18/h3-15,23,25H,16H2,1-2H3,(H,26,29)(H,27,28)/t23-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide?
(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide has a molecular weight of 419.48 g/mol, XLogP of 3.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide is sourced from PubChem (CID 51961248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).