4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide

C12H23NO2 — CID 115409857

IUPAC4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide
SMILESCC(C)CONC(=O)C1CCC(C)CC1
InChIInChI=1S/C12H23NO2/c1-9(2)8-15-13-12(14)11-6-4-10(3)5-7-11/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyWRUQAUOMURXWPO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.52
Rot. Bonds4

About 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide

4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide (PubChem CID 115409857) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide
PubChem CID115409857
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide
SMILESCC(C)CONC(=O)C1CCC(C)CC1
InChIInChI=1S/C12H23NO2/c1-9(2)8-15-13-12(14)11-6-4-10(3)5-7-11/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyWRUQAUOMURXWPO-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropoxy)cyclopropanecarboxamide
CID 115410090
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 82721720
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
CID 81339919
5-methyl-N-(2-methylpropoxy)oxolane-3-carboxamide
CID 114826134
butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide
CID 145332702
2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 82706464
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
6-(2-methylpropoxycarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 82707131
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide
CID 115410119
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
2-methylpropyl cyclopropanecarboxylate
CID 549520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide (CID 115409857) is 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide is CC(C)CONC(=O)C1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide?
The InChIKey is WRUQAUOMURXWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)8-15-13-12(14)11-6-4-10(3)5-7-11/h9-11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide?
4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 115409857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).