2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide

C14H18N2O2 — CID 9076728

IUPAC2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
SMILESC=CCNC(=O)CCNC(=O)c1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-9-15-13(17)8-10-16-14(18)12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyDOJZYIDJDBNJJM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.42
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide

2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide (PubChem CID 9076728) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
PubChem CID9076728
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
SMILESC=CCNC(=O)CCNC(=O)c1ccccc1C
InChIInChI=1S/C14H18N2O2/c1-3-9-15-13(17)8-10-16-14(18)12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18)
InChIKeyDOJZYIDJDBNJJM-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.42
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-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide
CID 60550431
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030738
2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8533527
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide (CID 9076728) is 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide is C=CCNC(=O)CCNC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide?
The InChIKey is DOJZYIDJDBNJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-9-15-13(17)8-10-16-14(18)12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide?
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide is sourced from PubChem (CID 9076728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).