2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide

C14H25NO2 — CID 67917074

IUPAC2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COC1CC=CCC1
InChIInChI=1S/C14H25NO2/c1-3-10-15(11-4-2)14(16)12-17-13-8-6-5-7-9-13/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyZKMNWZNFTNTAFF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds7

About 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide

2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide (PubChem CID 67917074) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide
PubChem CID67917074
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COC1CC=CCC1
InChIInChI=1S/C14H25NO2/c1-3-10-15(11-4-2)14(16)12-17-13-8-6-5-7-9-13/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyZKMNWZNFTNTAFF-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide?
The IUPAC name of 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide (CID 67917074) is 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide?
The canonical SMILES for 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide is CCCN(CCC)C(=O)COC1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide?
The InChIKey is ZKMNWZNFTNTAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-10-15(11-4-2)14(16)12-17-13-8-6-5-7-9-13/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide?
2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide has a molecular weight of 239.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yloxy-N,N-dipropylacetamide is sourced from PubChem (CID 67917074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).