[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

C21H22ClNO5 — CID 7133312

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C21H22ClNO5/c1-13(2)19(14-8-10-15(22)11-9-14)21(26)28-12-18(24)23-20(25)16-6-4-5-7-17(16)27-3/h4-11,13,19H,12H2,1-3H3,(H,23,24,25)/t19-/m0/s1
InChIKeyIOEAWHSMSJOVDN-IBGZPJMESA-N
MW403.86 g/mol
LogP3.59
Rot. Bonds7

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate (PubChem CID 7133312) has the molecular formula C21H22ClNO5 and a molecular weight of 403.86 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
PubChem CID7133312
Molecular FormulaC21H22ClNO5
Molecular Weight403.86 g/mol
Exact Mass403.12
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C21H22ClNO5/c1-13(2)19(14-8-10-15(22)11-9-14)21(26)28-12-18(24)23-20(25)16-6-4-5-7-17(16)27-3/h4-11,13,19H,12H2,1-3H3,(H,23,24,25)/t19-/m0/s1
InChIKeyIOEAWHSMSJOVDN-IBGZPJMESA-N
XLogP3.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate with MolForge

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133313
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772763
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380231
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598188
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133203
[2-(2-chloroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133350
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133361
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515349
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209242
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133431
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209299
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate (CID 7133312) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is COc1ccccc1C(=O)NC(=O)COC(=O)[C@H](c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
The InChIKey is IOEAWHSMSJOVDN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22ClNO5/c1-13(2)19(14-8-10-15(22)11-9-14)21(26)28-12-18(24)23-20(25)16-6-4-5-7-17(16)27-3/h4-11,13,19H,12H2,1-3H3,(H,23,24,25)/t19-/m0/s1.
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate has a molecular weight of 403.86 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is sourced from PubChem (CID 7133312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).