(1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C16H24F2N2O3 — CID 99831303

IUPAC(1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(CC(F)F)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C16H24F2N2O3/c1-2-19(11-14(17)18)15(21)12-5-3-4-6-13(12)16(22)20-7-9-23-10-8-20/h3-4,12-14H,2,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyLJQPJGVIRICJRW-CHWSQXEVSA-N
MW330.38 g/mol
LogP1.54
Rot. Bonds5

About (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

(1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 99831303) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID99831303
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name(1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCCN(CC(F)F)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C16H24F2N2O3/c1-2-19(11-14(17)18)15(21)12-5-3-4-6-13(12)16(22)20-7-9-23-10-8-20/h3-4,12-14H,2,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyLJQPJGVIRICJRW-CHWSQXEVSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(4aS,8R,8aS)-2-butyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 24747515
4-Cyclohexene-1,2-dicarboximide, N-(3-morpholinopropyl)-, (Z)-
CID 3056664
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
(E)-2,2-difluoro-1-morpholino-3-propylhept-4-en-1-one
CID 168720242
(R)-2,2-difluoro-4-(4-methylcyclohex-3-en-1-yl)-1-morpholinopent-4-en-1-one
CID 168720250
N-(cyclohex-3-en-1-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 119034657
2-Butyl-8-(morpholine-4-carbonyl)-3,4,4a,7,8,8a-hexahydroisoquinolin-1-one
CID 73758328
(1R,6S)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99831301
(1S,6S)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99831302
(1S,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 99831304
N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 121516369
Cyclohex-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
CID 126790816

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 99831303) is (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is CCN(CC(F)F)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is LJQPJGVIRICJRW-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-2-19(11-14(17)18)15(21)12-5-3-4-6-13(12)16(22)20-7-9-23-10-8-20/h3-4,12-14H,2,5-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
(1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N-(2,2-difluoroethyl)-N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 99831303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).