[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

C21H21ClN2O6 — CID 55380231

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O6/c1-13(25)23-17(14-7-9-15(22)10-8-14)11-20(27)30-12-19(26)24-21(28)16-5-3-4-6-18(16)29-2/h3-10,17H,11-12H2,1-2H3,(H,23,25)(H,24,26,28)
InChIKeyFJQYHHNKSKJXBN-UHFFFAOYSA-N
MW432.86 g/mol
LogP2.42
Rot. Bonds8

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (PubChem CID 55380231) has the molecular formula C21H21ClN2O6 and a molecular weight of 432.86 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
PubChem CID55380231
Molecular FormulaC21H21ClN2O6
Molecular Weight432.86 g/mol
Exact Mass432.11
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O6/c1-13(25)23-17(14-7-9-15(22)10-8-14)11-20(27)30-12-19(26)24-21(28)16-5-3-4-6-18(16)29-2/h3-10,17H,11-12H2,1-2H3,(H,23,25)(H,24,26,28)
InChIKeyFJQYHHNKSKJXBN-UHFFFAOYSA-N
XLogP2.42
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate with MolForge

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Related Compounds

methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133313
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133312
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030544
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380350
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598188
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380420
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55541254
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (CID 55380231) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is COc1ccccc1C(=O)NC(=O)COC(=O)CC(NC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The InChIKey is FJQYHHNKSKJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O6/c1-13(25)23-17(14-7-9-15(22)10-8-14)11-20(27)30-12-19(26)24-21(28)16-5-3-4-6-18(16)29-2/h3-10,17H,11-12H2,1-2H3,(H,23,25)(H,24,26,28).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate has a molecular weight of 432.86 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 55380231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).