3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide

C24H24N2O4 — CID 6005452

IUPAC3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-16(17-10-12-19(13-11-17)18-8-6-5-7-9-18)25-26-24(27)20-14-21(28-2)23(30-4)22(15-20)29-3/h5-15H,1-4H3,(H,26,27)/b25-16+
InChIKeyYIYCTZGBPGRTOB-PCLIKHOPSA-N
MW404.47 g/mol
LogP4.53
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide

3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide (PubChem CID 6005452) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
PubChem CID6005452
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-16(17-10-12-19(13-11-17)18-8-6-5-7-9-18)25-26-24(27)20-14-21(28-2)23(30-4)22(15-20)29-3/h5-15H,1-4H3,(H,26,27)/b25-16+
InChIKeyYIYCTZGBPGRTOB-PCLIKHOPSA-N
XLogP4.53
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[1-(3-bromophenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3496724
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
2-[3-[(Z)-C-methyl-N-[(3,4,5-trimethoxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9231733
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 6028855
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 4047183
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6382208
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3537672

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide (CID 6005452) is 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide is COc1cc(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The InChIKey is YIYCTZGBPGRTOB-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16(17-10-12-19(13-11-17)18-8-6-5-7-9-18)25-26-24(27)20-14-21(28-2)23(30-4)22(15-20)29-3/h5-15H,1-4H3,(H,26,27)/b25-16+.
What are the key properties of 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide?
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6005452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).