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

C20H21ClN2O5 — CID 55380350

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O5/c1-13(24)22-18(14-3-5-15(21)6-4-14)11-20(26)28-12-19(25)23-16-7-9-17(27-2)10-8-16/h3-10,18H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKCFVWRYVVMLBIH-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.10
Rot. Bonds8

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

[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (PubChem CID 55380350) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
PubChem CID55380350
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O5/c1-13(24)22-18(14-3-5-15(21)6-4-14)11-20(26)28-12-19(25)23-16-7-9-17(27-2)10-8-16/h3-10,18H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKCFVWRYVVMLBIH-UHFFFAOYSA-N
XLogP3.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818457
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133361
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
[2-(naphthalen-2-ylamino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132916
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
methyl 2-[[2-[3-acetamido-3-(4-methoxyphenyl)propanoyl]oxyacetyl]amino]-4-methylpentanoate
CID 55402517
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (CID 55380350) is [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is COc1ccc(NC(=O)COC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The InChIKey is KCFVWRYVVMLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-13(24)22-18(14-3-5-15(21)6-4-14)11-20(26)28-12-19(25)23-16-7-9-17(27-2)10-8-16/h3-10,18H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate has a molecular weight of 404.85 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 55380350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).