2-hexoxy-N,N-dipropylacetamide

C14H29NO2 — CID 538351

IUPAC2-hexoxy-N,N-dipropylacetamide
SMILESCCCCCCOCC(=O)N(CCC)CCC
InChIInChI=1S/C14H29NO2/c1-4-7-8-9-12-17-13-14(16)15(10-5-2)11-6-3/h4-13H2,1-3H3
InChIKeyHJXBVTVBFKXVKZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.23
Rot. Bonds11

About 2-hexoxy-N,N-dipropylacetamide

2-hexoxy-N,N-dipropylacetamide (PubChem CID 538351) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-hexoxy-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-hexoxy-N,N-dipropylacetamide
PubChem CID538351
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-hexoxy-N,N-dipropylacetamide
SMILESCCCCCCOCC(=O)N(CCC)CCC
InChIInChI=1S/C14H29NO2/c1-4-7-8-9-12-17-13-14(16)15(10-5-2)11-6-3/h4-13H2,1-3H3
InChIKeyHJXBVTVBFKXVKZ-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 2-hexoxy-N,N-dipropylacetamide?
The IUPAC name of 2-hexoxy-N,N-dipropylacetamide (CID 538351) is 2-hexoxy-N,N-dipropylacetamide.
What is the SMILES notation for 2-hexoxy-N,N-dipropylacetamide?
The canonical SMILES for 2-hexoxy-N,N-dipropylacetamide is CCCCCCOCC(=O)N(CCC)CCC.
What is the InChIKey of 2-hexoxy-N,N-dipropylacetamide?
The InChIKey is HJXBVTVBFKXVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-8-9-12-17-13-14(16)15(10-5-2)11-6-3/h4-13H2,1-3H3.
What are the key properties of 2-hexoxy-N,N-dipropylacetamide?
2-hexoxy-N,N-dipropylacetamide has a molecular weight of 243.39 g/mol, XLogP of 3.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N,N-dipropylacetamide is sourced from PubChem (CID 538351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).