2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide

C17H18N2O — CID 5391962

IUPAC2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-3-16(14-10-5-4-6-11-14)18-19-17(20)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H,19,20)/b18-16-
InChIKeySHAUVPCCJOXEKC-VLGSPTGOSA-N
MW266.34 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide

2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide (PubChem CID 5391962) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
PubChem CID5391962
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-3-16(14-10-5-4-6-11-14)18-19-17(20)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H,19,20)/b18-16-
InChIKeySHAUVPCCJOXEKC-VLGSPTGOSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 3635531
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
CID 7929302
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
[(Z)-1-(2-methylphenyl)propylideneamino]urea
CID 121218183
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide (CID 5391962) is 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide is CC/C(=N/NC(=O)c1ccccc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide?
The InChIKey is SHAUVPCCJOXEKC-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-16(14-10-5-4-6-11-14)18-19-17(20)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H,19,20)/b18-16-.
What are the key properties of 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide?
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide is sourced from PubChem (CID 5391962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).