N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide

C9H17NO2 — CID 131134005

IUPACN-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NO)C1
InChIInChI=1S/C9H17NO2/c1-6-3-7(2)5-8(4-6)9(11)10-12/h6-8,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyBKAKWRGZXRIAJH-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.56
Rot. Bonds1

About N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide

N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide (PubChem CID 131134005) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
PubChem CID131134005
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NO)C1
InChIInChI=1S/C9H17NO2/c1-6-3-7(2)5-8(4-6)9(11)10-12/h6-8,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyBKAKWRGZXRIAJH-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.56
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

3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 127783603
methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate
CID 130678698
N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
CID 110021339
3-methylcyclobutane-1-carboxylic acid
CID 3044406
3-methyl-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 164660348
3-methyl-N'-propanoylcyclobutane-1-carbohydrazide
CID 131131894
N-[2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propyl]-3-methylcyclobutane-1-carboxamide
CID 84586419
N-(2-amino-2-methylpropyl)-3-methylcyclobutane-1-carboxamide
CID 130652190
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
1-(3,5-dimethylcyclohexyl)prop-2-en-1-one
CID 103453666
2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115910003

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide (CID 131134005) is N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide is CC1CC(C)CC(C(=O)NO)C1.
What is the InChIKey of N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is BKAKWRGZXRIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-3-7(2)5-8(4-6)9(11)10-12/h6-8,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide?
N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 131134005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).