N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide

C14H25NO2 — CID 55212761

IUPACN-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-3-9-15(10-11-16)14(17)12-13-7-5-4-6-8-13/h7,16H,2-6,8-12H2,1H3
InChIKeyOKDAFBFOUDTJQX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds7

About N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide

N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 55212761) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID55212761
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-3-9-15(10-11-16)14(17)12-13-7-5-4-6-8-13/h7,16H,2-6,8-12H2,1H3
InChIKeyOKDAFBFOUDTJQX-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide (CID 55212761) is N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide is CCCCN(CCO)C(=O)CC1=CCCCC1.
What is the InChIKey of N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is OKDAFBFOUDTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-9-15(10-11-16)14(17)12-13-7-5-4-6-8-13/h7,16H,2-6,8-12H2,1H3.
What are the key properties of N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide?
N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 55212761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).