2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C14H25NO2 — CID 63562896

IUPAC2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)15(9-6-10-16)14(17)11-13-7-4-3-5-8-13/h7,12,16H,3-6,8-11H2,1-2H3
InChIKeyYVUARZYVPZKOHV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 63562896) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID63562896
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)15(9-6-10-16)14(17)11-13-7-4-3-5-8-13/h7,12,16H,3-6,8-11H2,1-2H3
InChIKeyYVUARZYVPZKOHV-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
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-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 63562896) is 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is YVUARZYVPZKOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)15(9-6-10-16)14(17)11-13-7-4-3-5-8-13/h7,12,16H,3-6,8-11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(cyclohexen-1-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 239.36 g/mol, XLogP of 2.50, 6 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-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 63562896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).