[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate

C14H17ClN2O4 — CID 4795054

IUPAC[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCNC(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-16-12(18)9-21-13(19)3-2-8-17-14(20)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyZXHVGYQQQMBINJ-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.14
Rot. Bonds7

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

[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate (PubChem CID 4795054) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
PubChem CID4795054
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCNC(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-16-12(18)9-21-13(19)3-2-8-17-14(20)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,18)(H,17,20)
InChIKeyZXHVGYQQQMBINJ-UHFFFAOYSA-N
XLogP1.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 32698206
[2-(3-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 78762583
[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 27915905
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 28571186
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 24557874
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 30051564
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 31145900
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 2535645
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 42965668
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate (CID 4795054) is [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate is CNC(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
The InChIKey is ZXHVGYQQQMBINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-16-12(18)9-21-13(19)3-2-8-17-14(20)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,16,18)(H,17,20).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate?
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate has a molecular weight of 312.75 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate is sourced from PubChem (CID 4795054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).