4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide

C30H29N3O3 — CID 16561654

IUPAC4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CNC(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H29N3O3/c1-36-27-18-16-26(17-19-27)33-30(35)24-12-14-25(15-13-24)32-29(34)21-31-28(23-10-6-3-7-11-23)20-22-8-4-2-5-9-22/h2-19,28,31H,20-21H2,1H3,(H,32,34)(H,33,35)
InChIKeyXPFCQOROXUQPFW-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.46
Rot. Bonds10

About 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide

4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 16561654) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID16561654
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CNC(Cc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H29N3O3/c1-36-27-18-16-26(17-19-27)33-30(35)24-12-14-25(15-13-24)32-29(34)21-31-28(23-10-6-3-7-11-23)20-22-8-4-2-5-9-22/h2-19,28,31H,20-21H2,1H3,(H,32,34)(H,33,35)
InChIKeyXPFCQOROXUQPFW-UHFFFAOYSA-N
XLogP5.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
CID 54845673
N-[4-(difluoromethylsulfonyl)phenyl]-2-(1,2-diphenylethylamino)acetamide
CID 55469182
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
CID 30538923
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 98418794
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541556

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 16561654) is 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CNC(Cc3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is XPFCQOROXUQPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-36-27-18-16-26(17-19-27)33-30(35)24-12-14-25(15-13-24)32-29(34)21-31-28(23-10-6-3-7-11-23)20-22-8-4-2-5-9-22/h2-19,28,31H,20-21H2,1H3,(H,32,34)(H,33,35).
What are the key properties of 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 479.58 g/mol, XLogP of 5.46, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 16561654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).