4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide

C28H26N2O4 — CID 59736811

IUPAC4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)cc1OC
InChIInChI=1S/C28H26N2O4/c1-33-26-15-13-23(17-27(26)34-2)29-18-19-8-10-21(11-9-19)28(32)30-24-16-22(12-14-25(24)31)20-6-4-3-5-7-20/h3-17,29,31H,18H2,1-2H3,(H,30,32)
InChIKeyGNXPPUZNHVIZIR-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.94
Rot. Bonds8

About 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide

4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide (PubChem CID 59736811) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
PubChem CID59736811
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)cc1OC
InChIInChI=1S/C28H26N2O4/c1-33-26-15-13-23(17-27(26)34-2)29-18-19-8-10-21(11-9-19)28(32)30-24-16-22(12-14-25(24)31)20-6-4-3-5-7-20/h3-17,29,31H,18H2,1-2H3,(H,30,32)
InChIKeyGNXPPUZNHVIZIR-UHFFFAOYSA-N
XLogP5.94
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 142928445
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
N-[2-amino-5-(3-amino-3-oxoprop-1-enyl)phenyl]-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 66893261
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-[(3,4-dimethoxyanilino)methyl]-N-[5-[(dimethylamino)methyl]-2-nitrophenyl]benzamide
CID 70810004
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-(2-amino-5-phenylphenyl)-4-[[(8-methoxyquinazolin-4-yl)amino]methyl]benzamide
CID 71471337

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide (CID 59736811) is 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide is COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
The InChIKey is GNXPPUZNHVIZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-33-26-15-13-23(17-27(26)34-2)29-18-19-8-10-21(11-9-19)28(32)30-24-16-22(12-14-25(24)31)20-6-4-3-5-7-20/h3-17,29,31H,18H2,1-2H3,(H,30,32).
What are the key properties of 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide?
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide has a molecular weight of 454.53 g/mol, XLogP of 5.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide is sourced from PubChem (CID 59736811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).