N,N-di(undecyl)butanamide

C26H53NO — CID 533369

IUPACN,N-di(undecyl)butanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CCC
InChIInChI=1S/C26H53NO/c1-4-7-9-11-13-15-17-19-21-24-27(26(28)23-6-3)25-22-20-18-16-14-12-10-8-5-2/h4-25H2,1-3H3
InChIKeyFSKOOHPFBPTBQU-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.68
Rot. Bonds22

About N,N-di(undecyl)butanamide

N,N-di(undecyl)butanamide (PubChem CID 533369) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N,N-di(undecyl)butanamide.

Molecular Properties

Compound NameN,N-di(undecyl)butanamide
PubChem CID533369
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN,N-di(undecyl)butanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CCC
InChIInChI=1S/C26H53NO/c1-4-7-9-11-13-15-17-19-21-24-27(26(28)23-6-3)25-22-20-18-16-14-12-10-8-5-2/h4-25H2,1-3H3
InChIKeyFSKOOHPFBPTBQU-UHFFFAOYSA-N
XLogP8.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.68
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

N,N-di(nonyl)butanamide
CID 533367
N-ethyl-N-octylbutanamide
CID 138793187
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
4-bromo-N,N-didecylbutanamide
CID 168865726
N',N'-dioctylhexanediamide
CID 53437404

Frequently Asked Questions

What is the IUPAC name of N,N-di(undecyl)butanamide?
The IUPAC name of N,N-di(undecyl)butanamide (CID 533369) is N,N-di(undecyl)butanamide.
What is the SMILES notation for N,N-di(undecyl)butanamide?
The canonical SMILES for N,N-di(undecyl)butanamide is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CCC.
What is the InChIKey of N,N-di(undecyl)butanamide?
The InChIKey is FSKOOHPFBPTBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-4-7-9-11-13-15-17-19-21-24-27(26(28)23-6-3)25-22-20-18-16-14-12-10-8-5-2/h4-25H2,1-3H3.
What are the key properties of N,N-di(undecyl)butanamide?
N,N-di(undecyl)butanamide has a molecular weight of 395.72 g/mol, XLogP of 8.68, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(undecyl)butanamide is sourced from PubChem (CID 533369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).