N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide

C32H34N2O2 — CID 20605115

IUPACN-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide
SMILESCc1ccc(C(O)CCCCc2ccc(Nc3ccc(C)c(-c4ccccc4)c3)cc2)cc1NC=O
InChIInChI=1S/C32H34N2O2/c1-23-13-17-29(21-30(23)26-9-4-3-5-10-26)34-28-18-14-25(15-19-28)8-6-7-11-32(36)27-16-12-24(2)31(20-27)33-22-35/h3-5,9-10,12-22,32,34,36H,6-8,11H2,1-2H3,(H,33,35)
InChIKeyPVFZKGSMVGUCJT-UHFFFAOYSA-N
MW478.64 g/mol
LogP7.73
Rot. Bonds11

About N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide

N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide (PubChem CID 20605115) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide
PubChem CID20605115
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC NameN-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide
SMILESCc1ccc(C(O)CCCCc2ccc(Nc3ccc(C)c(-c4ccccc4)c3)cc2)cc1NC=O
InChIInChI=1S/C32H34N2O2/c1-23-13-17-29(21-30(23)26-9-4-3-5-10-26)34-28-18-14-25(15-19-28)8-6-7-11-32(36)27-16-12-24(2)31(20-27)33-22-35/h3-5,9-10,12-22,32,34,36H,6-8,11H2,1-2H3,(H,33,35)
InChIKeyPVFZKGSMVGUCJT-UHFFFAOYSA-N
XLogP7.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 57.73
H-Bond Donors ≤ 53
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

(1S)-1-(3,4-dimethylphenyl)-5-[4-(4-methyl-3-phenylanilino)phenyl]pentan-1-ol;methane
CID 159982898
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[2-[4-(4-methyl-3-phenylanilino)phenyl]ethylamino]ethyl]phenyl]formamide
CID 59088095
[5-[(1S)-1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl] methanimidate
CID 59119416
N-[5-[(1S)-1-hydroxy-5-[4-[4-(pyridin-2-ylsulfamoyl)anilino]phenyl]pentyl]-2-methylphenyl]formamide
CID 59119471
1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol
CID 20605088
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
8-hydroxy-5-[1-hydroxy-2-[2-[4-(4-methyl-3-phenylanilino)phenyl]ethylamino]ethyl]-1H-quinolin-2-one
CID 20605106
methyl 2-butoxy-5-[(1R)-2-[2-[4-(4-ethoxy-3-phenylanilino)phenyl]ethylamino]-1-hydroxyethyl]benzoate
CID 70951476
10-(4-anilinophenyl)decan-2-ol
CID 101298266
7-(4-anilinophenyl)heptan-2-ol
CID 101298242
15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
10-(4-anilinophenyl)decan-5-ol
CID 101298269

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide?
The IUPAC name of N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide (CID 20605115) is N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide.
What is the SMILES notation for N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide?
The canonical SMILES for N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide is Cc1ccc(C(O)CCCCc2ccc(Nc3ccc(C)c(-c4ccccc4)c3)cc2)cc1NC=O.
What is the InChIKey of N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide?
The InChIKey is PVFZKGSMVGUCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-23-13-17-29(21-30(23)26-9-4-3-5-10-26)34-28-18-14-25(15-19-28)8-6-7-11-32(36)27-16-12-24(2)31(20-27)33-22-35/h3-5,9-10,12-22,32,34,36H,6-8,11H2,1-2H3,(H,33,35).
What are the key properties of N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide?
N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide has a molecular weight of 478.64 g/mol, XLogP of 7.73, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide is sourced from PubChem (CID 20605115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).