(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide

C12H20N2O2 — CID 27742839

IUPAC(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-11(15)8-13-12(16)10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyRISXKWSMQWBHGV-JTQLQIEISA-N
MW224.30 g/mol
LogP0.98
Rot. Bonds4

About (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 27742839) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID27742839
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-11(15)8-13-12(16)10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyRISXKWSMQWBHGV-JTQLQIEISA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782619
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
CID 114389785
3-[(cyclohex-3-ene-1-carbonylamino)methyl]pentanoic acid
CID 81066101
(1S)-N-[2-(4-ethoxyanilino)-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94811299
N-heptan-2-ylcyclohex-3-ene-1-carboxamide
CID 134055913
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
CID 24699400

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide (CID 27742839) is (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide is CC(C)NC(=O)CNC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is RISXKWSMQWBHGV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-11(15)8-13-12(16)10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)(H,14,15)/t10-/m0/s1.
What are the key properties of (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 27742839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).