N,N-dioctadecyl-4-oxobutanamide

C40H79NO2 — CID 56607761

IUPACN,N-dioctadecyl-4-oxobutanamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC=O
InChIInChI=1S/C40H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(40(43)36-35-39-42)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3
InChIKeySNJFITBVJRQEHB-UHFFFAOYSA-N
MW606.08 g/mol
LogP13.32
Rot. Bonds37

About N,N-dioctadecyl-4-oxobutanamide

N,N-dioctadecyl-4-oxobutanamide (PubChem CID 56607761) has the molecular formula C40H79NO2 and a molecular weight of 606.08 g/mol. Its IUPAC name is N,N-dioctadecyl-4-oxobutanamide.

Molecular Properties

Compound NameN,N-dioctadecyl-4-oxobutanamide
PubChem CID56607761
Molecular FormulaC40H79NO2
Molecular Weight606.08 g/mol
Exact Mass605.61
IUPAC NameN,N-dioctadecyl-4-oxobutanamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC=O
InChIInChI=1S/C40H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(40(43)36-35-39-42)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3
InChIKeySNJFITBVJRQEHB-UHFFFAOYSA-N
XLogP13.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.08
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dioctadecyl-4-oxobutanamide 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-butyl-N-hexyl-11-oxoundecanamide
CID 172894369
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452

Frequently Asked Questions

What is the IUPAC name of N,N-dioctadecyl-4-oxobutanamide?
The IUPAC name of N,N-dioctadecyl-4-oxobutanamide (CID 56607761) is N,N-dioctadecyl-4-oxobutanamide.
What is the SMILES notation for N,N-dioctadecyl-4-oxobutanamide?
The canonical SMILES for N,N-dioctadecyl-4-oxobutanamide is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC=O.
What is the InChIKey of N,N-dioctadecyl-4-oxobutanamide?
The InChIKey is SNJFITBVJRQEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(40(43)36-35-39-42)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3.
What are the key properties of N,N-dioctadecyl-4-oxobutanamide?
N,N-dioctadecyl-4-oxobutanamide has a molecular weight of 606.08 g/mol, XLogP of 13.32, 37 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctadecyl-4-oxobutanamide is sourced from PubChem (CID 56607761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).