2-(butanoylamino)-N-prop-2-enylbenzamide

C14H18N2O2 — CID 4932304

IUPAC2-(butanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CCC
InChIInChI=1S/C14H18N2O2/c1-3-7-13(17)16-12-9-6-5-8-11(12)14(18)15-10-4-2/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,18)(H,16,17)
InChIKeyNDPWHJLYJQGLIJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds6

About 2-(butanoylamino)-N-prop-2-enylbenzamide

2-(butanoylamino)-N-prop-2-enylbenzamide (PubChem CID 4932304) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(butanoylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-(butanoylamino)-N-prop-2-enylbenzamide
PubChem CID4932304
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(butanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CCC
InChIInChI=1S/C14H18N2O2/c1-3-7-13(17)16-12-9-6-5-8-11(12)14(18)15-10-4-2/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,18)(H,16,17)
InChIKeyNDPWHJLYJQGLIJ-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-(butanoylamino)-N-phenylbenzamide
CID 676008
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
2-(octanoylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4958966
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706664
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide
CID 38079822
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 2-(butanoylamino)-N-prop-2-enylbenzamide (CID 4932304) is 2-(butanoylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-(butanoylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-(butanoylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)CCC.
What is the InChIKey of 2-(butanoylamino)-N-prop-2-enylbenzamide?
The InChIKey is NDPWHJLYJQGLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-7-13(17)16-12-9-6-5-8-11(12)14(18)15-10-4-2/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(butanoylamino)-N-prop-2-enylbenzamide?
2-(butanoylamino)-N-prop-2-enylbenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 4932304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).