N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide

C13H23NO2 — CID 71983310

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-4-14(10-13(2,3)16)12(15)11-8-6-5-7-9-11/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyDVYJECPZHVYEAH-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71983310) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
PubChem CID71983310
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-4-14(10-13(2,3)16)12(15)11-8-6-5-7-9-11/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyDVYJECPZHVYEAH-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
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-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide (CID 71983310) is N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide is CCN(CC(C)(C)O)C(=O)C1CC=CCC1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DVYJECPZHVYEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-14(10-13(2,3)16)12(15)11-8-6-5-7-9-11/h5-6,11,16H,4,7-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71983310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).