[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate

C21H23ClN2O4 — CID 7827325

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCC(C)N(C(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H23ClN2O4/c1-15(2)24(18-6-4-3-5-7-18)19(25)14-28-20(26)12-13-23-21(27)16-8-10-17(22)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)
InChIKeyMAVCBIZJPHPEGE-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.44
Rot. Bonds8

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7827325) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7827325
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCC(C)N(C(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H23ClN2O4/c1-15(2)24(18-6-4-3-5-7-18)19(25)14-28-20(26)12-13-23-21(27)16-8-10-17(22)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)
InChIKeyMAVCBIZJPHPEGE-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827795
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 40778693
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 5099591
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662774
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827400
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827856
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827367
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827108
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827110

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 7827325) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate is CC(C)N(C(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is MAVCBIZJPHPEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-15(2)24(18-6-4-3-5-7-18)19(25)14-28-20(26)12-13-23-21(27)16-8-10-17(22)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,27).
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 402.88 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7827325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).