N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide

C17H18N2O — CID 5338610

IUPACN-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
SMILESCc1ccccc1/C=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C17H18N2O/c1-14-7-5-6-10-16(14)13-18-19-17(20)12-11-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,19,20)/b18-13+
InChIKeyLQHXKRKJQZHVGL-QGOAFFKASA-N
MW266.34 g/mol
LogP3.08
Rot. Bonds5

About N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide

N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 5338610) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID5338610
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
SMILESCc1ccccc1/C=N/NC(=O)CCc1ccccc1
InChIInChI=1S/C17H18N2O/c1-14-7-5-6-10-16(14)13-18-19-17(20)12-11-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,19,20)/b18-13+
InChIKeyLQHXKRKJQZHVGL-QGOAFFKASA-N
XLogP3.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.08
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

N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5418164
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
CID 135605985
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide (CID 5338610) is N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide is Cc1ccccc1/C=N/NC(=O)CCc1ccccc1.
What is the InChIKey of N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is LQHXKRKJQZHVGL-QGOAFFKASA-N. The full InChI is InChI=1S/C17H18N2O/c1-14-7-5-6-10-16(14)13-18-19-17(20)12-11-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 5338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).