2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide

C11H19NO2 — CID 158210571

IUPAC2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CCCC(=O)C1
InChIInChI=1S/C11H19NO2/c1-8(2)11(14)12-7-9-4-3-5-10(13)6-9/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyCXBHNWMQEIECRS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.52
Rot. Bonds3

About 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide

2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide (PubChem CID 158210571) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide
PubChem CID158210571
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CCCC(=O)C1
InChIInChI=1S/C11H19NO2/c1-8(2)11(14)12-7-9-4-3-5-10(13)6-9/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyCXBHNWMQEIECRS-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-methyl-N-(3-oxocyclohexyl)propanamide
CID 164677071
methyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 10535152
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 67953222
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide
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CID 71263253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide (CID 158210571) is 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide is CC(C)C(=O)NCC1CCCC(=O)C1.
What is the InChIKey of 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide?
The InChIKey is CXBHNWMQEIECRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)11(14)12-7-9-4-3-5-10(13)6-9/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide?
2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide is sourced from PubChem (CID 158210571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).