[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C32H28ClN3O6 — CID 92535437

IUPAC[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C32H28ClN3O6/c1-41-28-14-8-7-13-26(28)35-31(39)22-15-17-23(18-16-22)34-29(37)20-42-30(38)19-27(21-9-3-2-4-10-21)36-32(40)24-11-5-6-12-25(24)33/h2-18,27H,19-20H2,1H3,(H,34,37)(H,35,39)(H,36,40)/t27-/m0/s1
InChIKeyXPUNBHDHTCKJFP-MHZLTWQESA-N
MW586.04 g/mol
LogP5.64
Rot. Bonds11

About [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 92535437) has the molecular formula C32H28ClN3O6 and a molecular weight of 586.04 g/mol. Its IUPAC name is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID92535437
Molecular FormulaC32H28ClN3O6
Molecular Weight586.04 g/mol
Exact Mass585.17
IUPAC Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C32H28ClN3O6/c1-41-28-14-8-7-13-26(28)35-31(39)22-15-17-23(18-16-22)34-29(37)20-42-30(38)19-27(21-9-3-2-4-10-21)36-32(40)24-11-5-6-12-25(24)33/h2-18,27H,19-20H2,1H3,(H,34,37)(H,35,39)(H,36,40)/t27-/m0/s1
InChIKeyXPUNBHDHTCKJFP-MHZLTWQESA-N
XLogP5.64
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.04
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2519734
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42963433
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 55508832
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
[2-(3-fluoroanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2364120
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42160727
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-(2-methoxyphenyl)-4-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8898758

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 92535437) is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1.
What is the InChIKey of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is XPUNBHDHTCKJFP-MHZLTWQESA-N. The full InChI is InChI=1S/C32H28ClN3O6/c1-41-28-14-8-7-13-26(28)35-31(39)22-15-17-23(18-16-22)34-29(37)20-42-30(38)19-27(21-9-3-2-4-10-21)36-32(40)24-11-5-6-12-25(24)33/h2-18,27H,19-20H2,1H3,(H,34,37)(H,35,39)(H,36,40)/t27-/m0/s1.
What are the key properties of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 586.04 g/mol, XLogP of 5.64, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 92535437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).