N,N-dioctylbutanamide

C20H41NO — CID 533366

IUPACN,N-dioctylbutanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCC
InChIInChI=1S/C20H41NO/c1-4-7-9-11-13-15-18-21(20(22)17-6-3)19-16-14-12-10-8-5-2/h4-19H2,1-3H3
InChIKeyYTHTWWXHLQCJRN-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.34
Rot. Bonds16

About N,N-dioctylbutanamide

N,N-dioctylbutanamide (PubChem CID 533366) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N,N-dioctylbutanamide.

Molecular Properties

Compound NameN,N-dioctylbutanamide
PubChem CID533366
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN,N-dioctylbutanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCC
InChIInChI=1S/C20H41NO/c1-4-7-9-11-13-15-18-21(20(22)17-6-3)19-16-14-12-10-8-5-2/h4-19H2,1-3H3
InChIKeyYTHTWWXHLQCJRN-UHFFFAOYSA-N
XLogP6.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Laurocapram
CID 42981
1-Lauryl-2-pyrrolidone
CID 62459
N-Octylpyrrolidone
CID 3033871
N,N-Diethyldodecanamide
CID 18783
1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
Dimethyl myristamide
CID 76388
Hexadecanamide, N,N-dimethyl-
CID 19766
N,N-Dibutyldodecanamide
CID 219313
Diethyl caprylamide
CID 70456
N,N-Dimethylstearamide
CID 19765
N,N-Diethyldecanamide
CID 304087
Pyrrolidine, 1-stearoyl-
CID 574659

Frequently Asked Questions

What is the IUPAC name of N,N-dioctylbutanamide?
The IUPAC name of N,N-dioctylbutanamide (CID 533366) is N,N-dioctylbutanamide.
What is the SMILES notation for N,N-dioctylbutanamide?
The canonical SMILES for N,N-dioctylbutanamide is CCCCCCCCN(CCCCCCCC)C(=O)CCC.
What is the InChIKey of N,N-dioctylbutanamide?
The InChIKey is YTHTWWXHLQCJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-7-9-11-13-15-18-21(20(22)17-6-3)19-16-14-12-10-8-5-2/h4-19H2,1-3H3.
What are the key properties of N,N-dioctylbutanamide?
N,N-dioctylbutanamide has a molecular weight of 311.55 g/mol, XLogP of 6.34, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctylbutanamide is sourced from PubChem (CID 533366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).