N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide

C31H39NO2 — CID 67913722

IUPACN-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide
SMILESCCCCCCCCOc1ccccc1CC(=O)NC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C31H39NO2/c1-3-4-5-6-7-13-22-34-30-17-12-11-16-28(30)24-31(33)32-29(27-14-9-8-10-15-27)23-26-20-18-25(2)19-21-26/h8-12,14-21,29H,3-7,13,22-24H2,1-2H3,(H,32,33)
InChIKeyPYMPPCQWMRINGI-UHFFFAOYSA-N
MW457.66 g/mol
LogP7.38
Rot. Bonds14

About N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide

N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide (PubChem CID 67913722) has the molecular formula C31H39NO2 and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide
PubChem CID67913722
Molecular FormulaC31H39NO2
Molecular Weight457.66 g/mol
Exact Mass457.30
IUPAC NameN-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide
SMILESCCCCCCCCOc1ccccc1CC(=O)NC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C31H39NO2/c1-3-4-5-6-7-13-22-34-30-17-12-11-16-28(30)24-31(33)32-29(27-14-9-8-10-15-27)23-26-20-18-25(2)19-21-26/h8-12,14-21,29H,3-7,13,22-24H2,1-2H3,(H,32,33)
InChIKeyPYMPPCQWMRINGI-UHFFFAOYSA-N
XLogP7.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide 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-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
CID 67913687
3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
CID 130246328
(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044
N-(1,2-diphenylethyl)pentanamide
CID 134014505
3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
CID 54381001
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-2-ynamide
CID 54531392
3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
CID 54416603
1-ethyl-2-heptoxybenzene
CID 22723794
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide (CID 67913722) is N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide is CCCCCCCCOc1ccccc1CC(=O)NC(Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide?
The InChIKey is PYMPPCQWMRINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO2/c1-3-4-5-6-7-13-22-34-30-17-12-11-16-28(30)24-31(33)32-29(27-14-9-8-10-15-27)23-26-20-18-25(2)19-21-26/h8-12,14-21,29H,3-7,13,22-24H2,1-2H3,(H,32,33).
What are the key properties of N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide?
N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide has a molecular weight of 457.66 g/mol, XLogP of 7.38, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide is sourced from PubChem (CID 67913722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).