5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid

C20H22N2O4 — CID 17186685

IUPAC5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
SMILESCCN(C(=O)c1ccccc1NC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-2-22(15-9-4-3-5-10-15)20(26)16-11-6-7-12-17(16)21-18(23)13-8-14-19(24)25/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,23)(H,24,25)
InChIKeyBKLMLPXUGCXRCO-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.55
Rot. Bonds8

About 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid

5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid (PubChem CID 17186685) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
PubChem CID17186685
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
SMILESCCN(C(=O)c1ccccc1NC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-2-22(15-9-4-3-5-10-15)20(26)16-11-6-7-12-17(16)21-18(23)13-8-14-19(24)25/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,23)(H,24,25)
InChIKeyBKLMLPXUGCXRCO-UHFFFAOYSA-N
XLogP3.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate
CID 17186762
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
2-[(4-chlorophenyl)carbamoylamino]-N-ethyl-N-phenylbenzamide
CID 17186609
2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide
CID 17186809
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186649
3-phenylpropyl 4-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 17186834
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-ethyl-2-[2-(4-methoxyphenoxy)propanoylamino]-N-phenylbenzamide
CID 17186678
2-(hexacosanoylamino)benzoic acid
CID 123304158
3,5-dichloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17186892

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid (CID 17186685) is 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid is CCN(C(=O)c1ccccc1NC(=O)CCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid?
The InChIKey is BKLMLPXUGCXRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-22(15-9-4-3-5-10-15)20(26)16-11-6-7-12-17(16)21-18(23)13-8-14-19(24)25/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid?
5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid is sourced from PubChem (CID 17186685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).