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

C28H31NO3 — CID 144619615

IUPACN-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
SMILESCCCCCCCc1ccc(CN(C(=O)c2ccccc2)c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C28H31NO3/c1-2-3-4-5-7-10-22-13-15-23(16-14-22)20-29(28(32)24-11-8-6-9-12-24)26-17-18-27(31)25(19-26)21-30/h6,8-9,11-19,21,31H,2-5,7,10,20H2,1H3
InChIKeyXJNARXQBKWLNKV-UHFFFAOYSA-N
MW429.56 g/mol
LogP6.56
Rot. Bonds11

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

N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide (PubChem CID 144619615) has the molecular formula C28H31NO3 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
PubChem CID144619615
Molecular FormulaC28H31NO3
Molecular Weight429.56 g/mol
Exact Mass429.23
IUPAC NameN-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
SMILESCCCCCCCc1ccc(CN(C(=O)c2ccccc2)c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C28H31NO3/c1-2-3-4-5-7-10-22-13-15-23(16-14-22)20-29(28(32)24-11-8-6-9-12-24)26-17-18-27(31)25(19-26)21-30/h6,8-9,11-19,21,31H,2-5,7,10,20H2,1H3
InChIKeyXJNARXQBKWLNKV-UHFFFAOYSA-N
XLogP6.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide
CID 144619655
5-[benzoyl-[(4-heptylphenyl)methyl]amino]-2-hydroxybenzoic acid
CID 74221914
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-(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
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
N,N-bis(4-hexylphenyl)formamide
CID 88551243
N-[4-[3-(diethylamino)propyl]phenyl]-N-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]benzamide
CID 10118389
N,N-diphenyl-4-tetradecylaniline
CID 170668082

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide?
The IUPAC name of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide (CID 144619615) is N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide.
What is the SMILES notation for N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide?
The canonical SMILES for N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide is CCCCCCCc1ccc(CN(C(=O)c2ccccc2)c2ccc(O)c(C=O)c2)cc1.
What is the InChIKey of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide?
The InChIKey is XJNARXQBKWLNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO3/c1-2-3-4-5-7-10-22-13-15-23(16-14-22)20-29(28(32)24-11-8-6-9-12-24)26-17-18-27(31)25(19-26)21-30/h6,8-9,11-19,21,31H,2-5,7,10,20H2,1H3.
What are the key properties of N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide?
N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 6.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide is sourced from PubChem (CID 144619615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).