3-(propanoylamino)-N-prop-2-enylbenzamide

C13H16N2O2 — CID 47265411

IUPAC3-(propanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C13H16N2O2/c1-3-8-14-13(17)10-6-5-7-11(9-10)15-12(16)4-2/h3,5-7,9H,1,4,8H2,2H3,(H,14,17)(H,15,16)
InChIKeyODYNWXBEAZZOFV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.95
Rot. Bonds5

About 3-(propanoylamino)-N-prop-2-enylbenzamide

3-(propanoylamino)-N-prop-2-enylbenzamide (PubChem CID 47265411) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(propanoylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-(propanoylamino)-N-prop-2-enylbenzamide
PubChem CID47265411
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(propanoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C13H16N2O2/c1-3-8-14-13(17)10-6-5-7-11(9-10)15-12(16)4-2/h3,5-7,9H,1,4,8H2,2H3,(H,14,17)(H,15,16)
InChIKeyODYNWXBEAZZOFV-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.95
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

3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-(3-acetylphenyl)propanamide
CID 903063
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
methyl (E)-5-[[3-(propanoylamino)benzoyl]amino]pent-2-enoate
CID 146099922
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
N-tert-butyl-3-(prop-2-enylcarbamothioylamino)benzamide
CID 28639567
methyl 3-[[4-(prop-2-enylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109078938

Frequently Asked Questions

What is the IUPAC name of 3-(propanoylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 3-(propanoylamino)-N-prop-2-enylbenzamide (CID 47265411) is 3-(propanoylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-(propanoylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 3-(propanoylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(NC(=O)CC)c1.
What is the InChIKey of 3-(propanoylamino)-N-prop-2-enylbenzamide?
The InChIKey is ODYNWXBEAZZOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-8-14-13(17)10-6-5-7-11(9-10)15-12(16)4-2/h3,5-7,9H,1,4,8H2,2H3,(H,14,17)(H,15,16).
What are the key properties of 3-(propanoylamino)-N-prop-2-enylbenzamide?
3-(propanoylamino)-N-prop-2-enylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 47265411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).