[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate

C23H24ClN3O5 — CID 31145900

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
SMILESO=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H24ClN3O5/c24-16-9-7-15(8-10-16)22(30)25-13-3-6-21(29)32-14-20(28)27-19-5-2-1-4-18(19)23(31)26-17-11-12-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,25,30)(H,26,31)(H,27,28)
InChIKeyJDAOZZHKHWRSNO-UHFFFAOYSA-N
MW457.91 g/mol
LogP2.92
Rot. Bonds10

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate (PubChem CID 31145900) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
PubChem CID31145900
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
SMILESO=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H24ClN3O5/c24-16-9-7-15(8-10-16)22(30)25-13-3-6-21(29)32-14-20(28)27-19-5-2-1-4-18(19)23(31)26-17-11-12-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,25,30)(H,26,31)(H,27,28)
InChIKeyJDAOZZHKHWRSNO-UHFFFAOYSA-N
XLogP2.92
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 27926933
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827400
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061901
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31145082
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515793
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 30051564
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate (CID 31145900) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate is O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
The InChIKey is JDAOZZHKHWRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c24-16-9-7-15(8-10-16)22(30)25-13-3-6-21(29)32-14-20(28)27-19-5-2-1-4-18(19)23(31)26-17-11-12-17/h1-2,4-5,7-10,17H,3,6,11-14H2,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate has a molecular weight of 457.91 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate is sourced from PubChem (CID 31145900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).