N-butan-2-yl-N-methylcyclohexanecarboxamide

C12H23NO — CID 153425265

IUPACN-butan-2-yl-N-methylcyclohexanecarboxamide
SMILESCCC(C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyXDLLLGXNCZVGMR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds3

About N-butan-2-yl-N-methylcyclohexanecarboxamide

N-butan-2-yl-N-methylcyclohexanecarboxamide (PubChem CID 153425265) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-butan-2-yl-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methylcyclohexanecarboxamide
PubChem CID153425265
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-butan-2-yl-N-methylcyclohexanecarboxamide
SMILESCCC(C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyXDLLLGXNCZVGMR-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
CID 69164951
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide
CID 65018667
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324204

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methylcyclohexanecarboxamide?
The IUPAC name of N-butan-2-yl-N-methylcyclohexanecarboxamide (CID 153425265) is N-butan-2-yl-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-butan-2-yl-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-butan-2-yl-N-methylcyclohexanecarboxamide is CCC(C)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-butan-2-yl-N-methylcyclohexanecarboxamide?
The InChIKey is XDLLLGXNCZVGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)13(3)12(14)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methylcyclohexanecarboxamide?
N-butan-2-yl-N-methylcyclohexanecarboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 153425265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).