N-[1-(octanoylamino)propyl]octanamide

C19H38N2O2 — CID 175099053

IUPACN-[1-(octanoylamino)propyl]octanamide
SMILESCCCCCCCC(=O)NC(CC)NC(=O)CCCCCCC
InChIInChI=1S/C19H38N2O2/c1-4-7-9-11-13-15-18(22)20-17(6-3)21-19(23)16-14-12-10-8-5-2/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPLODRMCLZFLXPJ-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.68
Rot. Bonds15

About N-[1-(octanoylamino)propyl]octanamide

N-[1-(octanoylamino)propyl]octanamide (PubChem CID 175099053) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-[1-(octanoylamino)propyl]octanamide.

Molecular Properties

Compound NameN-[1-(octanoylamino)propyl]octanamide
PubChem CID175099053
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN-[1-(octanoylamino)propyl]octanamide
SMILESCCCCCCCC(=O)NC(CC)NC(=O)CCCCCCC
InChIInChI=1S/C19H38N2O2/c1-4-7-9-11-13-15-18(22)20-17(6-3)21-19(23)16-14-12-10-8-5-2/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPLODRMCLZFLXPJ-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(methylamino)propyl]docosanamide
CID 87067975
N-pentan-3-yldocosanamide
CID 123339332
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
N-[1-(ethylamino)butyl]dodecanamide
CID 87831104
N-[2-(dimethylamino)-1-(octadecanoylamino)ethyl]octadecanamide;hydrochloride
CID 173388520
N-pentan-2-ylundecanamide
CID 173258559
1-(hexadecanoylamino)propane-1-sulfonic acid
CID 156636169
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
N-(1-hydroxybutyl)decanamide
CID 87762139

Frequently Asked Questions

What is the IUPAC name of N-[1-(octanoylamino)propyl]octanamide?
The IUPAC name of N-[1-(octanoylamino)propyl]octanamide (CID 175099053) is N-[1-(octanoylamino)propyl]octanamide.
What is the SMILES notation for N-[1-(octanoylamino)propyl]octanamide?
The canonical SMILES for N-[1-(octanoylamino)propyl]octanamide is CCCCCCCC(=O)NC(CC)NC(=O)CCCCCCC.
What is the InChIKey of N-[1-(octanoylamino)propyl]octanamide?
The InChIKey is PLODRMCLZFLXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-4-7-9-11-13-15-18(22)20-17(6-3)21-19(23)16-14-12-10-8-5-2/h17H,4-16H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-(octanoylamino)propyl]octanamide?
N-[1-(octanoylamino)propyl]octanamide has a molecular weight of 326.53 g/mol, XLogP of 4.68, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(octanoylamino)propyl]octanamide is sourced from PubChem (CID 175099053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).