N-butyl-N-[5-(diethylamino)pentyl]butanamide

C17H36N2O — CID 89364821

IUPACN-butyl-N-[5-(diethylamino)pentyl]butanamide
SMILESCCCCN(CCCCCN(CC)CC)C(=O)CCC
InChIInChI=1S/C17H36N2O/c1-5-9-15-19(17(20)13-6-2)16-12-10-11-14-18(7-3)8-4/h5-16H2,1-4H3
InChIKeyTYXHJPRBZSLRHN-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.93
Rot. Bonds13

About N-butyl-N-[5-(diethylamino)pentyl]butanamide

N-butyl-N-[5-(diethylamino)pentyl]butanamide (PubChem CID 89364821) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-butyl-N-[5-(diethylamino)pentyl]butanamide.

Molecular Properties

Compound NameN-butyl-N-[5-(diethylamino)pentyl]butanamide
PubChem CID89364821
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-butyl-N-[5-(diethylamino)pentyl]butanamide
SMILESCCCCN(CCCCCN(CC)CC)C(=O)CCC
InChIInChI=1S/C17H36N2O/c1-5-9-15-19(17(20)13-6-2)16-12-10-11-14-18(7-3)8-4/h5-16H2,1-4H3
InChIKeyTYXHJPRBZSLRHN-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-di(nonyl)butanamide
CID 533367
N-ethyl-N-octylbutanamide
CID 138793187
3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
CID 82323531
N-butyl-N-octyldecanamide
CID 18913402
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-[3-(dibutylamino)propyl]-N-octadecylpropanamide
CID 146463655
4-bromo-N,N-didecylbutanamide
CID 168865726
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[5-(diethylamino)pentyl]butanamide?
The IUPAC name of N-butyl-N-[5-(diethylamino)pentyl]butanamide (CID 89364821) is N-butyl-N-[5-(diethylamino)pentyl]butanamide.
What is the SMILES notation for N-butyl-N-[5-(diethylamino)pentyl]butanamide?
The canonical SMILES for N-butyl-N-[5-(diethylamino)pentyl]butanamide is CCCCN(CCCCCN(CC)CC)C(=O)CCC.
What is the InChIKey of N-butyl-N-[5-(diethylamino)pentyl]butanamide?
The InChIKey is TYXHJPRBZSLRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-9-15-19(17(20)13-6-2)16-12-10-11-14-18(7-3)8-4/h5-16H2,1-4H3.
What are the key properties of N-butyl-N-[5-(diethylamino)pentyl]butanamide?
N-butyl-N-[5-(diethylamino)pentyl]butanamide has a molecular weight of 284.49 g/mol, XLogP of 3.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-(diethylamino)pentyl]butanamide is sourced from PubChem (CID 89364821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).