(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide

C19H30N2O2 — CID 95621362

IUPAC(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CC=CCC1)CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,13-20-17(22)15-9-5-3-6-10-15)14-21-18(23)16-11-7-4-8-12-16/h3-5,7,15-16H,6,8-14H2,1-2H3,(H,20,22)(H,21,23)/t15-,16+
InChIKeyJXFGJEUMIRRDGU-IYBDPMFKSA-N
MW318.46 g/mol
LogP2.96
Rot. Bonds6

About (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 95621362) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
PubChem CID95621362
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CC=CCC1)CNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,13-20-17(22)15-9-5-3-6-10-15)14-21-18(23)16-11-7-4-8-12-16/h3-5,7,15-16H,6,8-14H2,1-2H3,(H,20,22)(H,21,23)/t15-,16+
InChIKeyJXFGJEUMIRRDGU-IYBDPMFKSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
CID 103772445
(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
(1S)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986113
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
CID 81369711
2-(cyclohex-3-ene-1-carbonylamino)-2-methylbutanoic acid
CID 79792304
(1R)-N-(2-hydroxy-2,2-dithiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 129356482

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide (CID 95621362) is (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide is CC(C)(CNC(=O)[C@@H]1CC=CCC1)CNC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is JXFGJEUMIRRDGU-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,13-20-17(22)15-9-5-3-6-10-15)14-21-18(23)16-11-7-4-8-12-16/h3-5,7,15-16H,6,8-14H2,1-2H3,(H,20,22)(H,21,23)/t15-,16+.
What are the key properties of (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95621362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).