2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

C15H27NO2 — CID 55212955

IUPAC2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C15H27NO2/c1-3-14(4-2)16(10-11-17)15(18)12-13-8-6-5-7-9-13/h8,14,17H,3-7,9-12H2,1-2H3
InChIKeyOFNKIGUWWGKIKJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (PubChem CID 55212955) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
PubChem CID55212955
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C15H27NO2/c1-3-14(4-2)16(10-11-17)15(18)12-13-8-6-5-7-9-13/h8,14,17H,3-7,9-12H2,1-2H3
InChIKeyOFNKIGUWWGKIKJ-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
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-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (CID 55212955) is 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCO)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is OFNKIGUWWGKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-14(4-2)16(10-11-17)15(18)12-13-8-6-5-7-9-13/h8,14,17H,3-7,9-12H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 253.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 55212955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).