2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

C18H18N2O2 — CID 3132181

IUPAC2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccccc1C
InChIInChI=1S/C18H18N2O2/c1-3-12-19-17(21)15-10-6-7-11-16(15)20-18(22)14-9-5-4-8-13(14)2/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22)
InChIKeyONPRLIDWVASIEI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 3132181) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID3132181
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccccc1C
InChIInChI=1S/C18H18N2O2/c1-3-12-19-17(21)15-10-6-7-11-16(15)20-18(22)14-9-5-4-8-13(14)2/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22)
InChIKeyONPRLIDWVASIEI-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 3132181) is 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is ONPRLIDWVASIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-19-17(21)15-10-6-7-11-16(15)20-18(22)14-9-5-4-8-13(14)2/h3-11H,1,12H2,2H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 3132181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).