[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate

C21H22N2O5 — CID 46795940

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H22N2O5/c1-3-19(25)23-16-10-8-15(9-11-16)18(24)13-28-20(26)12-22-21(27)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyWAIIICJRAJXJKO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds8

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 46795940) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
PubChem CID46795940
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H22N2O5/c1-3-19(25)23-16-10-8-15(9-11-16)18(24)13-28-20(26)12-22-21(27)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyWAIIICJRAJXJKO-UHFFFAOYSA-N
XLogP2.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662107
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8853560
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
CID 8709346
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796053
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17251680
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate (CID 46795940) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate is CCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2C)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is WAIIICJRAJXJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-3-19(25)23-16-10-8-15(9-11-16)18(24)13-28-20(26)12-22-21(27)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 382.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 46795940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).