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

C17H18N2O2 — CID 5334959

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCOc1cccc(/C=N/NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-9-5-8-15(12-16)13-18-19-17(20)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,19,20)/b18-13+
InChIKeyJEDITGKOELFWHS-QGOAFFKASA-N
MW282.34 g/mol
LogP2.78
Rot. Bonds6

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

N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 5334959) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID5334959
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCOc1cccc(/C=N/NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-9-5-8-15(12-16)13-18-19-17(20)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,19,20)/b18-13+
InChIKeyJEDITGKOELFWHS-QGOAFFKASA-N
XLogP2.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 126126513
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N-[(3-methoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 2692852
N-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538064
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide (CID 5334959) is N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide is COc1cccc(/C=N/NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is JEDITGKOELFWHS-QGOAFFKASA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-9-5-8-15(12-16)13-18-19-17(20)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 5334959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).