N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide

C12H20N2O2 — CID 2206193

IUPACN'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C12H20N2O2/c1-3-8-13-11(15)12(16)14-10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H,13,15)(H,14,16)/t9-,10+/m0/s1
InChIKeyMBVSRNNUXFGFJE-VHSXEESVSA-N
MW224.30 g/mol
LogP0.98
Rot. Bonds3

About N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide

N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide (PubChem CID 2206193) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide
PubChem CID2206193
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C12H20N2O2/c1-3-8-13-11(15)12(16)14-10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H,13,15)(H,14,16)/t9-,10+/m0/s1
InChIKeyMBVSRNNUXFGFJE-VHSXEESVSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide (CID 2206193) is N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide?
The InChIKey is MBVSRNNUXFGFJE-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-8-13-11(15)12(16)14-10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H,13,15)(H,14,16)/t9-,10+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide?
N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide has a molecular weight of 224.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 2206193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).