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

C18H20N2O — CID 6520046

IUPAC2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-9-17(15-11-5-4-6-12-15)19-20-18(21)16-13-8-7-10-14(16)2/h4-8,10-13H,3,9H2,1-2H3,(H,20,21)/b19-17-
InChIKeyCXNHOIMOVHPRAE-ZPHPHTNESA-N
MW280.37 g/mol
LogP3.93
Rot. Bonds5

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

2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide (PubChem CID 6520046) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
PubChem CID6520046
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-9-17(15-11-5-4-6-12-15)19-20-18(21)16-13-8-7-10-14(16)2/h4-8,10-13H,3,9H2,1-2H3,(H,20,21)/b19-17-
InChIKeyCXNHOIMOVHPRAE-ZPHPHTNESA-N
XLogP3.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.93
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-phenylpropylideneamino]benzamide
CID 5391962
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6117993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide (CID 6520046) is 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide is CCC/C(=N/NC(=O)c1ccccc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide?
The InChIKey is CXNHOIMOVHPRAE-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-9-17(15-11-5-4-6-12-15)19-20-18(21)16-13-8-7-10-14(16)2/h4-8,10-13H,3,9H2,1-2H3,(H,20,21)/b19-17-.
What are the key properties of 2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide?
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.93, 5 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-phenylbutylideneamino]benzamide is sourced from PubChem (CID 6520046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).