2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide

C18H18N2O2 — CID 3915249

IUPAC2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,22)(H,20,21)
InChIKeyZEZRMAMZEMDTPY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.78
Rot. Bonds6

About 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide

2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide (PubChem CID 3915249) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
PubChem CID3915249
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,22)(H,20,21)
InChIKeyZEZRMAMZEMDTPY-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.78
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

2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706664
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706648
2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 55413439
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 18158413
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-prop-2-enylbenzamide
CID 126129090

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide (CID 3915249) is 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is ZEZRMAMZEMDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,22)(H,20,21).
What are the key properties of 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide?
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 3915249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).