4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide

C17H18N2O3 — CID 135151082

IUPAC4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/COCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-21-16-9-7-15(8-10-16)17(20)19-18-11-12-22-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,19,20)/b18-11+
InChIKeyQAQLKTVFSITTHR-WOJGMQOQSA-N
MW298.34 g/mol
LogP2.63
Rot. Bonds7

About 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide

4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide (PubChem CID 135151082) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide
PubChem CID135151082
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/COCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-21-16-9-7-15(8-10-16)17(20)19-18-11-12-22-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,19,20)/b18-11+
InChIKeyQAQLKTVFSITTHR-WOJGMQOQSA-N
XLogP2.63
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
[(E)-4-phenylmethoxybut-2-enyl] N-[(4-methoxybenzoyl)amino]carbamate
CID 45109533
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925727
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 51061317
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide (CID 135151082) is 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide is COc1ccc(C(=O)N/N=C/COCc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide?
The InChIKey is QAQLKTVFSITTHR-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-16-9-7-15(8-10-16)17(20)19-18-11-12-22-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,19,20)/b18-11+.
What are the key properties of 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide?
4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide is sourced from PubChem (CID 135151082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).