N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide

C31H39NO2 — CID 67913687

IUPACN-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
SMILESCCCCCCCCOc1ccc(CCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H39NO2/c1-2-3-4-5-6-13-24-34-29-21-18-26(19-22-29)20-23-31(33)32-30(28-16-11-8-12-17-28)25-27-14-9-7-10-15-27/h7-12,14-19,21-22,30H,2-6,13,20,23-25H2,1H3,(H,32,33)
InChIKeyLFTPJIMNNRIWIH-UHFFFAOYSA-N
MW457.66 g/mol
LogP7.46
Rot. Bonds15

About N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide

N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide (PubChem CID 67913687) has the molecular formula C31H39NO2 and a molecular weight of 457.66 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
PubChem CID67913687
Molecular FormulaC31H39NO2
Molecular Weight457.66 g/mol
Exact Mass457.30
IUPAC NameN-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
SMILESCCCCCCCCOc1ccc(CCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H39NO2/c1-2-3-4-5-6-13-24-34-29-21-18-26(19-22-29)20-23-31(33)32-30(28-16-11-8-12-17-28)25-27-14-9-7-10-15-27/h7-12,14-19,21-22,30H,2-6,13,20,23-25H2,1H3,(H,32,33)
InChIKeyLFTPJIMNNRIWIH-UHFFFAOYSA-N
XLogP7.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide
CID 67913722
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate
CID 67561994
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
4-heptoxy-N-(1-phenylpropyl)benzamide
CID 43911534
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
CID 112814215
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253
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

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide?
The IUPAC name of N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide (CID 67913687) is N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide?
The canonical SMILES for N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide is CCCCCCCCOc1ccc(CCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide?
The InChIKey is LFTPJIMNNRIWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO2/c1-2-3-4-5-6-13-24-34-29-21-18-26(19-22-29)20-23-31(33)32-30(28-16-11-8-12-17-28)25-27-14-9-7-10-15-27/h7-12,14-19,21-22,30H,2-6,13,20,23-25H2,1H3,(H,32,33).
What are the key properties of N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide?
N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide has a molecular weight of 457.66 g/mol, XLogP of 7.46, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide is sourced from PubChem (CID 67913687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).