N-hexylbutanamide

C10H21NO — CID 25112

IUPACN-hexylbutanamide
SMILESCCCCCCNC(=O)CCC
InChIInChI=1S/C10H21NO/c1-3-5-6-7-9-11-10(12)8-4-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyYRVDTEDFGDNSLD-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.48
Rot. Bonds7

About N-hexylbutanamide

N-hexylbutanamide (PubChem CID 25112) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-hexylbutanamide.

Molecular Properties

Compound NameN-hexylbutanamide
PubChem CID25112
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-hexylbutanamide
SMILESCCCCCCNC(=O)CCC
InChIInChI=1S/C10H21NO/c1-3-5-6-7-9-11-10(12)8-4-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyYRVDTEDFGDNSLD-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Laurolactam
CID 13690
Hexamethylene Bisacetamide
CID 3616
N-Acetylcadaverine
CID 189087
N-Dodecylacetamide
CID 19764
1,8-Diazacyclotetradecane-2,9-dione
CID 16
N-(2-Methylpropyl)hexanimidic acid
CID 239248
N-Hexylacetamide
CID 24129
Acetamide, N-nonyl-
CID 39431
Dodecanamide, N-butyl-
CID 94896
N-Decylacetamide
CID 98880
N-butylbutanamide
CID 347960
Dodecanamide, N-hexyl-
CID 3505480

Frequently Asked Questions

What is the IUPAC name of N-hexylbutanamide?
The IUPAC name of N-hexylbutanamide (CID 25112) is N-hexylbutanamide.
What is the SMILES notation for N-hexylbutanamide?
The canonical SMILES for N-hexylbutanamide is CCCCCCNC(=O)CCC.
What is the InChIKey of N-hexylbutanamide?
The InChIKey is YRVDTEDFGDNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-7-9-11-10(12)8-4-2/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-hexylbutanamide?
N-hexylbutanamide has a molecular weight of 171.28 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylbutanamide is sourced from PubChem (CID 25112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).