N-propoxyoctanamide

C11H23NO2 — CID 174987362

IUPACN-propoxyoctanamide
SMILESCCCCCCCC(=O)NOCCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-11(13)12-14-10-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyZVYPAXTZRRTUDC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.80
Rot. Bonds9

About N-propoxyoctanamide

N-propoxyoctanamide (PubChem CID 174987362) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-propoxyoctanamide.

Molecular Properties

Compound NameN-propoxyoctanamide
PubChem CID174987362
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-propoxyoctanamide
SMILESCCCCCCCC(=O)NOCCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-11(13)12-14-10-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyZVYPAXTZRRTUDC-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-decanoyldecanamide
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N-(2-morpholin-4-ylethoxy)hexanamide
CID 87298881
propyl docosanoate
CID 3015299
dodecanoic acid;N-propoxyethanamine
CID 174925397
N-methylnonadecanamide
CID 2724821
N-methylheptacosanamide
CID 18175889
N-hydroxytridecanamide
CID 14122613
N-octanoyloctanamide;hydrobromide
CID 175059894

Frequently Asked Questions

What is the IUPAC name of N-propoxyoctanamide?
The IUPAC name of N-propoxyoctanamide (CID 174987362) is N-propoxyoctanamide.
What is the SMILES notation for N-propoxyoctanamide?
The canonical SMILES for N-propoxyoctanamide is CCCCCCCC(=O)NOCCC.
What is the InChIKey of N-propoxyoctanamide?
The InChIKey is ZVYPAXTZRRTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-7-8-9-11(13)12-14-10-4-2/h3-10H2,1-2H3,(H,12,13).
What are the key properties of N-propoxyoctanamide?
N-propoxyoctanamide has a molecular weight of 201.31 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxyoctanamide is sourced from PubChem (CID 174987362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).