N,N-di(nonyl)butanamide

C22H45NO — CID 533367

IUPACN,N-di(nonyl)butanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCC
InChIInChI=1S/C22H45NO/c1-4-7-9-11-13-15-17-20-23(22(24)19-6-3)21-18-16-14-12-10-8-5-2/h4-21H2,1-3H3
InChIKeyGWOHDUVWPLNRFP-UHFFFAOYSA-N
MW339.61 g/mol
LogP7.12
Rot. Bonds18

About N,N-di(nonyl)butanamide

N,N-di(nonyl)butanamide (PubChem CID 533367) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is N,N-di(nonyl)butanamide.

Molecular Properties

Compound NameN,N-di(nonyl)butanamide
PubChem CID533367
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC NameN,N-di(nonyl)butanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CCC
InChIInChI=1S/C22H45NO/c1-4-7-9-11-13-15-17-20-23(22(24)19-6-3)21-18-16-14-12-10-8-5-2/h4-21H2,1-3H3
InChIKeyGWOHDUVWPLNRFP-UHFFFAOYSA-N
XLogP7.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 57.12
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(undecyl)butanamide
CID 533369
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(nonyl)butanamide?
The IUPAC name of N,N-di(nonyl)butanamide (CID 533367) is N,N-di(nonyl)butanamide.
What is the SMILES notation for N,N-di(nonyl)butanamide?
The canonical SMILES for N,N-di(nonyl)butanamide is CCCCCCCCCN(CCCCCCCCC)C(=O)CCC.
What is the InChIKey of N,N-di(nonyl)butanamide?
The InChIKey is GWOHDUVWPLNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-4-7-9-11-13-15-17-20-23(22(24)19-6-3)21-18-16-14-12-10-8-5-2/h4-21H2,1-3H3.
What are the key properties of N,N-di(nonyl)butanamide?
N,N-di(nonyl)butanamide has a molecular weight of 339.61 g/mol, XLogP of 7.12, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(nonyl)butanamide is sourced from PubChem (CID 533367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).