3-dodecoxypropanamide

C15H31NO2 — CID 22235134

IUPAC3-dodecoxypropanamide
SMILESCCCCCCCCCCCCOCCC(N)=O
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H2,16,17)
InChIKeyVAFLFQIKLLBYJN-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.80
Rot. Bonds14

About 3-dodecoxypropanamide

3-dodecoxypropanamide (PubChem CID 22235134) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-dodecoxypropanamide.

Molecular Properties

Compound Name3-dodecoxypropanamide
PubChem CID22235134
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-dodecoxypropanamide
SMILESCCCCCCCCCCCCOCCC(N)=O
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H2,16,17)
InChIKeyVAFLFQIKLLBYJN-UHFFFAOYSA-N
XLogP3.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-dodecoxypropanamide;hydrobromide
CID 175357705
3-butoxypropanamide;ethane
CID 176554640
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
2-tridecoxyacetamide
CID 54483018
hexyl 3-heptoxypropanoate
CID 101325522
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
4-nonoxybutan-2-one
CID 175477614
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
tetrapentacontanamide
CID 139682680
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
1-hexoxypentan-3-one
CID 88538290

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxypropanamide?
The IUPAC name of 3-dodecoxypropanamide (CID 22235134) is 3-dodecoxypropanamide.
What is the SMILES notation for 3-dodecoxypropanamide?
The canonical SMILES for 3-dodecoxypropanamide is CCCCCCCCCCCCOCCC(N)=O.
What is the InChIKey of 3-dodecoxypropanamide?
The InChIKey is VAFLFQIKLLBYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H2,16,17).
What are the key properties of 3-dodecoxypropanamide?
3-dodecoxypropanamide has a molecular weight of 257.42 g/mol, XLogP of 3.80, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxypropanamide is sourced from PubChem (CID 22235134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).