N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide

C17H18N2O3 — CID 135472425

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1O
InChIInChI=1S/C17H18N2O3/c1-22-16-11-14(7-9-15(16)20)12-18-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11-12,20H,8,10H2,1H3,(H,19,21)/b18-12+
InChIKeyOWCTYKZHWXUBEE-LDADJPATSA-N
MW298.34 g/mol
LogP2.48
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 135472425) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID135472425
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1O
InChIInChI=1S/C17H18N2O3/c1-22-16-11-14(7-9-15(16)20)12-18-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11-12,20H,8,10H2,1H3,(H,19,21)/b18-12+
InChIKeyOWCTYKZHWXUBEE-LDADJPATSA-N
XLogP2.48
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6895403
4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 22337182
N'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
cis-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 10935039
4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 22337173
2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
N'-(1,3-benzodioxol-5-ylmethylene)-3-(4-methoxyphenyl)propanohydrazide
CID 6876987
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-3-[4-(propan-2-yloxy)phenyl]propanehydrazide
CID 6888950
4-(4-methoxyphenyl)-N'-[(E)-(4-methylphenyl)methylidene]butanehydrazide
CID 9580173
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
CID 9591898

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide (CID 135472425) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide is COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is OWCTYKZHWXUBEE-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-16-11-14(7-9-15(16)20)12-18-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11-12,20H,8,10H2,1H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 298.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 135472425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).