ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide

C12H25NO2 — CID 167456902

IUPACethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC.CC(C)C1CCC(C(=O)NO)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-7(2)8-3-5-9(6-4-8)10(12)11-13;1-2/h7-9,13H,3-6H2,1-2H3,(H,11,12);1-2H3
InChIKeyYXESHIXOBOXVQI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.98
Rot. Bonds2

About ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide

ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 167456902) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID167456902
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC.CC(C)C1CCC(C(=O)NO)CC1
InChIInChI=1S/C10H19NO2.C2H6/c1-7(2)8-3-5-9(6-4-8)10(12)11-13;1-2/h7-9,13H,3-6H2,1-2H3,(H,11,12);1-2H3
InChIKeyYXESHIXOBOXVQI-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
3-methyl-4-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 120536964
N-hydroxycyclohexanecarboxamide;hydrochloride
CID 174569477
2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
CID 13192855
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119339836
1-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 153459282
2-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]ethylsulfanyl]acetic acid
CID 120526444
N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
CID 100609902

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide (CID 167456902) is ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide is CC.CC(C)C1CCC(C(=O)NO)CC1.
What is the InChIKey of ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is YXESHIXOBOXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-7(2)8-3-5-9(6-4-8)10(12)11-13;1-2/h7-9,13H,3-6H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide?
ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 215.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 167456902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).