N-ethyl-N-octylbutanamide

C14H29NO — CID 138793187

IUPACN-ethyl-N-octylbutanamide
SMILESCCCCCCCCN(CC)C(=O)CCC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-13-15(6-3)14(16)12-5-2/h4-13H2,1-3H3
InChIKeyQYINWHPPCJZZDQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.00
Rot. Bonds10

About N-ethyl-N-octylbutanamide

N-ethyl-N-octylbutanamide (PubChem CID 138793187) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-N-octylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-octylbutanamide
PubChem CID138793187
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-N-octylbutanamide
SMILESCCCCCCCCN(CC)C(=O)CCC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-13-15(6-3)14(16)12-5-2/h4-13H2,1-3H3
InChIKeyQYINWHPPCJZZDQ-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.00
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,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N-butyl-N-ethylpentanamide
CID 4629847
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
N-butyl-N-octyldecanamide
CID 18913402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-octylbutanamide?
The IUPAC name of N-ethyl-N-octylbutanamide (CID 138793187) is N-ethyl-N-octylbutanamide.
What is the SMILES notation for N-ethyl-N-octylbutanamide?
The canonical SMILES for N-ethyl-N-octylbutanamide is CCCCCCCCN(CC)C(=O)CCC.
What is the InChIKey of N-ethyl-N-octylbutanamide?
The InChIKey is QYINWHPPCJZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-8-9-10-11-13-15(6-3)14(16)12-5-2/h4-13H2,1-3H3.
What are the key properties of N-ethyl-N-octylbutanamide?
N-ethyl-N-octylbutanamide has a molecular weight of 227.39 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-octylbutanamide is sourced from PubChem (CID 138793187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).