2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide

C18H18N2O2 — CID 2174275

IUPAC2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H18N2O2/c1-3-11-19-18(22)15-9-4-5-10-16(15)20-17(21)14-8-6-7-13(2)12-14/h3-10,12H,1,11H2,2H3,(H,19,22)(H,20,21)
InChIKeyKAZNUNHOBZUOEI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.16
Rot. Bonds5

About 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide

2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide (PubChem CID 2174275) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide
PubChem CID2174275
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H18N2O2/c1-3-11-19-18(22)15-9-4-5-10-16(15)20-17(21)14-8-6-7-13(2)12-14/h3-10,12H,1,11H2,2H3,(H,19,22)(H,20,21)
InChIKeyKAZNUNHOBZUOEI-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-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide (CID 2174275) is 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1.
What is the InChIKey of 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is KAZNUNHOBZUOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-11-19-18(22)15-9-4-5-10-16(15)20-17(21)14-8-6-7-13(2)12-14/h3-10,12H,1,11H2,2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide?
2-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide 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-[(3-methylbenzoyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 2174275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).