4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid

C14H16N2O4 — CID 4932263

IUPAC4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
SMILESC=CCNC(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C14H16N2O4/c1-2-9-15-14(20)10-5-3-4-6-11(10)16-12(17)7-8-13(18)19/h2-6H,1,7-9H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyZEWLFPWNQQXLJT-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.41
Rot. Bonds7

About 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid

4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid (PubChem CID 4932263) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
PubChem CID4932263
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
SMILESC=CCNC(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C14H16N2O4/c1-2-9-15-14(20)10-5-3-4-6-11(10)16-12(17)7-8-13(18)19/h2-6H,1,7-9H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyZEWLFPWNQQXLJT-UHFFFAOYSA-N
XLogP1.41
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706664
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706648
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide
CID 38079822
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N-prop-2-enylbenzamide
CID 34743638
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-prop-2-enylbenzamide
CID 126129090
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid?
The IUPAC name of 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid (CID 4932263) is 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid is C=CCNC(=O)c1ccccc1NC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid?
The InChIKey is ZEWLFPWNQQXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-9-15-14(20)10-5-3-4-6-11(10)16-12(17)7-8-13(18)19/h2-6H,1,7-9H2,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid?
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid is sourced from PubChem (CID 4932263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).