[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate

C21H22N2O5 — CID 9199226

IUPAC[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H22N2O5/c1-14-6-5-7-16(12-14)22-21(27)17-8-3-4-9-18(17)23-19(25)13-28-20(26)11-10-15(2)24/h3-9,12H,10-11,13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyWKHGKQVPYLHKMR-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.10
Rot. Bonds8

About [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate

[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate (PubChem CID 9199226) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
PubChem CID9199226
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H22N2O5/c1-14-6-5-7-16(12-14)22-21(27)17-8-3-4-9-18(17)23-19(25)13-28-20(26)11-10-15(2)24/h3-9,12H,10-11,13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyWKHGKQVPYLHKMR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
ethyl 2-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]sulfanylacetate
CID 8594868
[2-(2-acetylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221760
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
[2-(3-methylanilino)-2-oxoethyl] 4-methylpentanoate
CID 84603861
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide
CID 30805523
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
The IUPAC name of [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate (CID 9199226) is [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate.
What is the SMILES notation for [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
The canonical SMILES for [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate is CC(=O)CCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
The InChIKey is WKHGKQVPYLHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-6-5-7-16(12-14)22-21(27)17-8-3-4-9-18(17)23-19(25)13-28-20(26)11-10-15(2)24/h3-9,12H,10-11,13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate?
[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate has a molecular weight of 382.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate is sourced from PubChem (CID 9199226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).