N-decylbutanamide

C14H29NO — CID 3614377

IUPACN-decylbutanamide
SMILESCCCCCCCCCCNC(=O)CCC
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-9-10-11-13-15-14(16)12-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyVNLRYCURXUALAI-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.04
Rot. Bonds11

About N-decylbutanamide

N-decylbutanamide (PubChem CID 3614377) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-decylbutanamide.

Molecular Properties

Compound NameN-decylbutanamide
PubChem CID3614377
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-decylbutanamide
SMILESCCCCCCCCCCNC(=O)CCC
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-9-10-11-13-15-14(16)12-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyVNLRYCURXUALAI-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of N-decylbutanamide?
The IUPAC name of N-decylbutanamide (CID 3614377) is N-decylbutanamide.
What is the SMILES notation for N-decylbutanamide?
The canonical SMILES for N-decylbutanamide is CCCCCCCCCCNC(=O)CCC.
What is the InChIKey of N-decylbutanamide?
The InChIKey is VNLRYCURXUALAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-7-8-9-10-11-13-15-14(16)12-4-2/h3-13H2,1-2H3,(H,15,16).
What are the key properties of N-decylbutanamide?
N-decylbutanamide has a molecular weight of 227.39 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylbutanamide is sourced from PubChem (CID 3614377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).