N-[3-[benzyl(methyl)amino]propyl]octanamide

C19H32N2O — CID 173154177

IUPACN-[3-[benzyl(methyl)amino]propyl]octanamide
SMILESCCCCCCCC(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2O/c1-3-4-5-6-10-14-19(22)20-15-11-16-21(2)17-18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3,(H,20,22)
InChIKeyHURJWNKWSDMRDT-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.99
Rot. Bonds12

About N-[3-[benzyl(methyl)amino]propyl]octanamide

N-[3-[benzyl(methyl)amino]propyl]octanamide (PubChem CID 173154177) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]octanamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]octanamide
PubChem CID173154177
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]octanamide
SMILESCCCCCCCC(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2O/c1-3-4-5-6-10-14-19(22)20-15-11-16-21(2)17-18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3,(H,20,22)
InChIKeyHURJWNKWSDMRDT-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.99
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-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
2-[methyl-[3-(octadecanoylamino)propyl]amino]acetic acid
CID 154414053
N-[3-[benzyl(methyl)amino]butyl]octadecanamide;hydrochloride
CID 175021170
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917
2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
CID 82042587
N-benzylundecanamide
CID 5078198
1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
CID 115573153
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]octanamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]octanamide (CID 173154177) is N-[3-[benzyl(methyl)amino]propyl]octanamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]octanamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]octanamide is CCCCCCCC(=O)NCCCN(C)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]octanamide?
The InChIKey is HURJWNKWSDMRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-3-4-5-6-10-14-19(22)20-15-11-16-21(2)17-18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]octanamide?
N-[3-[benzyl(methyl)amino]propyl]octanamide has a molecular weight of 304.48 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]octanamide is sourced from PubChem (CID 173154177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).