3-dodecoxypropanamide;hydrobromide

C15H32BrNO2 — CID 175357705

IUPAC3-dodecoxypropanamide;hydrobromide
SMILESBr.CCCCCCCCCCCCOCCC(N)=O
InChIInChI=1S/C15H31NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2-14H2,1H3,(H2,16,17);1H
InChIKeyQEKQMFBBFANKNR-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.38
Rot. Bonds14

About 3-dodecoxypropanamide;hydrobromide

3-dodecoxypropanamide;hydrobromide (PubChem CID 175357705) has the molecular formula C15H32BrNO2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-dodecoxypropanamide;hydrobromide.

Molecular Properties

Compound Name3-dodecoxypropanamide;hydrobromide
PubChem CID175357705
Molecular FormulaC15H32BrNO2
Molecular Weight338.33 g/mol
Exact Mass337.16
IUPAC Name3-dodecoxypropanamide;hydrobromide
SMILESBr.CCCCCCCCCCCCOCCC(N)=O
InChIInChI=1S/C15H31NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2-14H2,1H3,(H2,16,17);1H
InChIKeyQEKQMFBBFANKNR-UHFFFAOYSA-N
XLogP4.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.38
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
CID 22235134
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
heptyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469588
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350
octadecyl 4-[2-(2-undecoxyethoxy)ethoxy]butanoate
CID 121470527
hexyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470252

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxypropanamide;hydrobromide?
The IUPAC name of 3-dodecoxypropanamide;hydrobromide (CID 175357705) is 3-dodecoxypropanamide;hydrobromide.
What is the SMILES notation for 3-dodecoxypropanamide;hydrobromide?
The canonical SMILES for 3-dodecoxypropanamide;hydrobromide is Br.CCCCCCCCCCCCOCCC(N)=O.
What is the InChIKey of 3-dodecoxypropanamide;hydrobromide?
The InChIKey is QEKQMFBBFANKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2-14H2,1H3,(H2,16,17);1H.
What are the key properties of 3-dodecoxypropanamide;hydrobromide?
3-dodecoxypropanamide;hydrobromide has a molecular weight of 338.33 g/mol, XLogP of 4.38, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxypropanamide;hydrobromide is sourced from PubChem (CID 175357705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).