N-decyl-4-hydroxybutanamide

C14H29NO2 — CID 11139345

IUPACN-decyl-4-hydroxybutanamide
SMILESCCCCCCCCCCNC(=O)CCCO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-12-15-14(17)11-10-13-16/h16H,2-13H2,1H3,(H,15,17)
InChIKeyOYFMIRZYNDSCNS-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.02
Rot. Bonds12

About N-decyl-4-hydroxybutanamide

N-decyl-4-hydroxybutanamide (PubChem CID 11139345) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-decyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-decyl-4-hydroxybutanamide
PubChem CID11139345
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-decyl-4-hydroxybutanamide
SMILESCCCCCCCCCCNC(=O)CCCO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-12-15-14(17)11-10-13-16/h16H,2-13H2,1H3,(H,15,17)
InChIKeyOYFMIRZYNDSCNS-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-decyl-4-hydroxybutanamide?
The IUPAC name of N-decyl-4-hydroxybutanamide (CID 11139345) is N-decyl-4-hydroxybutanamide.
What is the SMILES notation for N-decyl-4-hydroxybutanamide?
The canonical SMILES for N-decyl-4-hydroxybutanamide is CCCCCCCCCCNC(=O)CCCO.
What is the InChIKey of N-decyl-4-hydroxybutanamide?
The InChIKey is OYFMIRZYNDSCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-12-15-14(17)11-10-13-16/h16H,2-13H2,1H3,(H,15,17).
What are the key properties of N-decyl-4-hydroxybutanamide?
N-decyl-4-hydroxybutanamide has a molecular weight of 243.39 g/mol, XLogP of 3.02, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-hydroxybutanamide is sourced from PubChem (CID 11139345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).