N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide

C13H23NO3 — CID 86911262

IUPACN,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO3/c1-16-10-8-14(9-11-17-2)13(15)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3
InChIKeyGYBYCVKJZONIHE-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.46
Rot. Bonds7

About N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide

N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 86911262) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
PubChem CID86911262
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO3/c1-16-10-8-14(9-11-17-2)13(15)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3
InChIKeyGYBYCVKJZONIHE-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 71803992
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459978
N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 86911274
2-[cyclohex-3-ene-1-carbonyl(ethyl)amino]acetic acid
CID 61021350
N-propyl-N-prop-2-ynylcyclohex-3-ene-1-carboxamide
CID 78970491
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958
(1S)-N-(cyanomethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 125145424
(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide
CID 95330405
3-[cyclohex-3-ene-1-carbonyl(2-methylpropyl)amino]propanoic acid
CID 119189963

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide (CID 86911262) is N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide is COCCN(CCOC)C(=O)C1CC=CCC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is GYBYCVKJZONIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-16-10-8-14(9-11-17-2)13(15)12-6-4-3-5-7-12/h3-4,12H,5-11H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 86911262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).