N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide

C11H19NO2 — CID 134972853

IUPACN-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)[C@@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-8(9(2)13)12-11(14)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyTVDSRTKFNHSGRN-MRVPVSSYSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds3

About N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide

N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 134972853) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID134972853
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)[C@@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-8(9(2)13)12-11(14)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyTVDSRTKFNHSGRN-MRVPVSSYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
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3-oxo-N-(2-oxocyclohexyl)dodecanamide
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N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
N-cyclohexylcyclohexaneacetamide
CID 880907
N-butylcyclohexanecarboxamide
CID 3544722
N-3-fluorobenzoyl-L-leucine-glycine nitrile (21)
CID 127054393
Cambridge id 6909396
CID 800131
N-cyclohexyl-3-cyclopentylpropanamide
CID 835664
3-oxo-N-(2-oxocyclohexyl)pentanamide
CID 155543620
Cambridge id 6930140
CID 800535
N-cyclohexylcyclohexanecarboxamide
CID 344739

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide (CID 134972853) is N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide is CC(=O)[C@@H](C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is TVDSRTKFNHSGRN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(9(2)13)12-11(14)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,12,14)/t8-/m1/s1.
What are the key properties of N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide?
N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 134972853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).