[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate

C22H24ClNO4 — CID 7827856

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClNO4/c1-22(2,3)17-8-4-16(5-9-17)21(27)24-13-12-20(26)28-14-19(25)15-6-10-18(23)11-7-15/h4-11H,12-14H2,1-3H3,(H,24,27)
InChIKeyUWHRXSDZFWVIFE-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.18
Rot. Bonds7

About [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate

[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate (PubChem CID 7827856) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
PubChem CID7827856
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClNO4/c1-22(2,3)17-8-4-16(5-9-17)21(27)24-13-12-20(26)28-14-19(25)15-6-10-18(23)11-7-15/h4-11H,12-14H2,1-3H3,(H,24,27)
InChIKeyUWHRXSDZFWVIFE-UHFFFAOYSA-N
XLogP4.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827110
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827795
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 32698206
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
[2-(2-cyanoethylamino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827758
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827031
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate (CID 7827856) is [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate is CC(C)(C)c1ccc(C(=O)NCCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
The InChIKey is UWHRXSDZFWVIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-22(2,3)17-8-4-16(5-9-17)21(27)24-13-12-20(26)28-14-19(25)15-6-10-18(23)11-7-15/h4-11H,12-14H2,1-3H3,(H,24,27).
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate has a molecular weight of 401.89 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate is sourced from PubChem (CID 7827856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).