N'-benzyl-N-pentyl-N'-phenylpropanediamide

C21H26N2O2 — CID 108951958

IUPACN'-benzyl-N-pentyl-N'-phenylpropanediamide
SMILESCCCCCNC(=O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-3-10-15-22-20(24)16-21(25)23(19-13-8-5-9-14-19)17-18-11-6-4-7-12-18/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,22,24)
InChIKeyFJGLHZSQJWLGKO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.92
Rot. Bonds9

About N'-benzyl-N-pentyl-N'-phenylpropanediamide

N'-benzyl-N-pentyl-N'-phenylpropanediamide (PubChem CID 108951958) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-benzyl-N-pentyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-pentyl-N'-phenylpropanediamide
PubChem CID108951958
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN'-benzyl-N-pentyl-N'-phenylpropanediamide
SMILESCCCCCNC(=O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-3-10-15-22-20(24)16-21(25)23(19-13-8-5-9-14-19)17-18-11-6-4-7-12-18/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,22,24)
InChIKeyFJGLHZSQJWLGKO-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide
CID 108953721
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium
CID 7536
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-pentyl-N'-phenylpropanediamide?
The IUPAC name of N'-benzyl-N-pentyl-N'-phenylpropanediamide (CID 108951958) is N'-benzyl-N-pentyl-N'-phenylpropanediamide.
What is the SMILES notation for N'-benzyl-N-pentyl-N'-phenylpropanediamide?
The canonical SMILES for N'-benzyl-N-pentyl-N'-phenylpropanediamide is CCCCCNC(=O)CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-pentyl-N'-phenylpropanediamide?
The InChIKey is FJGLHZSQJWLGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-3-10-15-22-20(24)16-21(25)23(19-13-8-5-9-14-19)17-18-11-6-4-7-12-18/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,22,24).
What are the key properties of N'-benzyl-N-pentyl-N'-phenylpropanediamide?
N'-benzyl-N-pentyl-N'-phenylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-pentyl-N'-phenylpropanediamide is sourced from PubChem (CID 108951958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).