3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide

C17H18N2O — CID 112980083

IUPAC3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O/c1-3-11-18-15-7-9-16(10-8-15)19-17(20)14-6-4-5-13(2)12-14/h3-10,12,18H,1,11H2,2H3,(H,19,20)
InChIKeyQAWFKUJOQRFXNI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.85
Rot. Bonds5

About 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide

3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide (PubChem CID 112980083) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
PubChem CID112980083
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O/c1-3-11-18-15-7-9-16(10-8-15)19-17(20)14-6-4-5-13(2)12-14/h3-10,12,18H,1,11H2,2H3,(H,19,20)
InChIKeyQAWFKUJOQRFXNI-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.85
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

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3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
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N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
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3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
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N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247938
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
N-[4-(2-formylhydrazinyl)phenyl]-3-methylbenzamide
CID 20661930
N-[4-(diethylamino)phenyl]-3-methylbenzamide
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3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide (CID 112980083) is 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide is C=CCNc1ccc(NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide?
The InChIKey is QAWFKUJOQRFXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-11-18-15-7-9-16(10-8-15)19-17(20)14-6-4-5-13(2)12-14/h3-10,12,18H,1,11H2,2H3,(H,19,20).
What are the key properties of 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide?
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide is sourced from PubChem (CID 112980083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).