3-methyl-N-phenyl-N-prop-2-enylbenzamide

C17H17NO — CID 78794859

IUPAC3-methyl-N-phenyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-3-12-18(16-10-5-4-6-11-16)17(19)15-9-7-8-14(2)13-15/h3-11,13H,1,12H2,2H3
InChIKeyLCTGFEVBMXWWNZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.83
Rot. Bonds4

About 3-methyl-N-phenyl-N-prop-2-enylbenzamide

3-methyl-N-phenyl-N-prop-2-enylbenzamide (PubChem CID 78794859) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-N-phenyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-N-prop-2-enylbenzamide
PubChem CID78794859
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-methyl-N-phenyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-3-12-18(16-10-5-4-6-11-16)17(19)15-9-7-8-14(2)13-15/h3-11,13H,1,12H2,2H3
InChIKeyLCTGFEVBMXWWNZ-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 28765017
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CID 43052353
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
N-phenyl-N-prop-2-enyl-3-pyrazin-2-yloxybenzamide
CID 122141084
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CID 2958860
2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide
CID 55551272
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78847401
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
1-(3-methylphenyl)but-3-en-1-one
CID 61380184
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-methyl-N-phenyl-N-prop-2-enylbenzamide (CID 78794859) is 3-methyl-N-phenyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-methyl-N-phenyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-methyl-N-phenyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cccc(C)c1)c1ccccc1.
What is the InChIKey of 3-methyl-N-phenyl-N-prop-2-enylbenzamide?
The InChIKey is LCTGFEVBMXWWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-12-18(16-10-5-4-6-11-16)17(19)15-9-7-8-14(2)13-15/h3-11,13H,1,12H2,2H3.
What are the key properties of 3-methyl-N-phenyl-N-prop-2-enylbenzamide?
3-methyl-N-phenyl-N-prop-2-enylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 78794859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).