4-amino-N,N-di(tetradecyl)butanamide

C32H66N2O — CID 169149946

IUPAC4-amino-N,N-di(tetradecyl)butanamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCCN
InChIInChI=1S/C32H66N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34(32(35)28-27-29-33)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31,33H2,1-2H3
InChIKeyUKBPDCHBCGMPTO-UHFFFAOYSA-N
MW494.89 g/mol
LogP9.96
Rot. Bonds29

About 4-amino-N,N-di(tetradecyl)butanamide

4-amino-N,N-di(tetradecyl)butanamide (PubChem CID 169149946) has the molecular formula C32H66N2O and a molecular weight of 494.89 g/mol. Its IUPAC name is 4-amino-N,N-di(tetradecyl)butanamide.

Molecular Properties

Compound Name4-amino-N,N-di(tetradecyl)butanamide
PubChem CID169149946
Molecular FormulaC32H66N2O
Molecular Weight494.89 g/mol
Exact Mass494.52
IUPAC Name4-amino-N,N-di(tetradecyl)butanamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCCN
InChIInChI=1S/C32H66N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34(32(35)28-27-29-33)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31,33H2,1-2H3
InChIKeyUKBPDCHBCGMPTO-UHFFFAOYSA-N
XLogP9.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.89
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
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-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
4-amino-N,N-dipropylbutanamide
CID 12835718
N-butyl-N-octyldecanamide
CID 18913402
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-di(tetradecyl)butanamide?
The IUPAC name of 4-amino-N,N-di(tetradecyl)butanamide (CID 169149946) is 4-amino-N,N-di(tetradecyl)butanamide.
What is the SMILES notation for 4-amino-N,N-di(tetradecyl)butanamide?
The canonical SMILES for 4-amino-N,N-di(tetradecyl)butanamide is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCCN.
What is the InChIKey of 4-amino-N,N-di(tetradecyl)butanamide?
The InChIKey is UKBPDCHBCGMPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34(32(35)28-27-29-33)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31,33H2,1-2H3.
What are the key properties of 4-amino-N,N-di(tetradecyl)butanamide?
4-amino-N,N-di(tetradecyl)butanamide has a molecular weight of 494.89 g/mol, XLogP of 9.96, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-di(tetradecyl)butanamide is sourced from PubChem (CID 169149946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).