N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide

C34H35NO4 — CID 144619655

IUPACN-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide
SMILESCCCCCCCc1ccc(CN(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C34H35NO4/c1-2-3-4-5-7-10-26-13-15-27(16-14-26)24-35(30-19-22-33(37)29(23-30)25-36)34(38)28-17-20-32(21-18-28)39-31-11-8-6-9-12-31/h6,8-9,11-23,25,37H,2-5,7,10,24H2,1H3
InChIKeyAYDAPLZCHUEZTP-UHFFFAOYSA-N
MW521.66 g/mol
LogP8.36
Rot. Bonds13

About N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide

N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide (PubChem CID 144619655) has the molecular formula C34H35NO4 and a molecular weight of 521.66 g/mol. Its IUPAC name is N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide
PubChem CID144619655
Molecular FormulaC34H35NO4
Molecular Weight521.66 g/mol
Exact Mass521.26
IUPAC NameN-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide
SMILESCCCCCCCc1ccc(CN(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C34H35NO4/c1-2-3-4-5-7-10-26-13-15-27(16-14-26)24-35(30-19-22-33(37)29(23-30)25-36)34(38)28-17-20-32(21-18-28)39-31-11-8-6-9-12-31/h6,8-9,11-23,25,37H,2-5,7,10,24H2,1H3
InChIKeyAYDAPLZCHUEZTP-UHFFFAOYSA-N
XLogP8.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide 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-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
CID 144619615
N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide
CID 144619659
5-[benzoyl-[(4-heptylphenyl)methyl]amino]-2-hydroxybenzoic acid
CID 74221914
5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid
CID 74221821
methyl 5-[(4-bromophenyl)methyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoate
CID 118365840
5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(4-hexylbenzoyl)amino]-2-hydroxybenzoic acid
CID 11180816
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
2-hydroxy-5-[(3-methoxy-4-methylphenyl)methyl-(4-phenoxybenzoyl)amino]benzoic acid
CID 118370961
bis[4-(4-hexylphenoxy)phenyl]methanone
CID 139804555
2-hydroxy-5-(4-phenylbutyl)benzaldehyde
CID 166610719
N-benzyl-N-(4-octylphenyl)prop-2-enamide
CID 156703845
N-(2,2-dimethyl-4-oxo-1,3-benzodioxin-6-yl)-4-heptyl-N-[[4-(4-methylphenyl)phenyl]methyl]benzamide
CID 142994795

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide?
The IUPAC name of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide (CID 144619655) is N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide.
What is the SMILES notation for N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide?
The canonical SMILES for N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide is CCCCCCCc1ccc(CN(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(O)c(C=O)c2)cc1.
What is the InChIKey of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide?
The InChIKey is AYDAPLZCHUEZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35NO4/c1-2-3-4-5-7-10-26-13-15-27(16-14-26)24-35(30-19-22-33(37)29(23-30)25-36)34(38)28-17-20-32(21-18-28)39-31-11-8-6-9-12-31/h6,8-9,11-23,25,37H,2-5,7,10,24H2,1H3.
What are the key properties of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide?
N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide has a molecular weight of 521.66 g/mol, XLogP of 8.36, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide is sourced from PubChem (CID 144619655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).