N-methyl-4-propanoylcyclohexane-1-carboxamide

C11H19NO2 — CID 170174898

IUPACN-methyl-4-propanoylcyclohexane-1-carboxamide
SMILESCCC(=O)C1CCC(C(=O)NC)CC1
InChIInChI=1S/C11H19NO2/c1-3-10(13)8-4-6-9(7-5-8)11(14)12-2/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyVWSRXGYIYNTREG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.52
Rot. Bonds3

About N-methyl-4-propanoylcyclohexane-1-carboxamide

N-methyl-4-propanoylcyclohexane-1-carboxamide (PubChem CID 170174898) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-methyl-4-propanoylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propanoylcyclohexane-1-carboxamide
PubChem CID170174898
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-methyl-4-propanoylcyclohexane-1-carboxamide
SMILESCCC(=O)C1CCC(C(=O)NC)CC1
InChIInChI=1S/C11H19NO2/c1-3-10(13)8-4-6-9(7-5-8)11(14)12-2/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyVWSRXGYIYNTREG-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

CID 89404179
CID 89404179
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
N-methyl-4-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 155198720
4-propanoylcyclohexane-1-carboxamide
CID 118218321
1-[3-(methylamino)cyclobutyl]propan-1-one
CID 165469771
1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one
CID 130457436
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
N-methylspiro[2.5]octane-6-carboxamide
CID 59578553
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propanoylcyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-propanoylcyclohexane-1-carboxamide (CID 170174898) is N-methyl-4-propanoylcyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-propanoylcyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-propanoylcyclohexane-1-carboxamide is CCC(=O)C1CCC(C(=O)NC)CC1.
What is the InChIKey of N-methyl-4-propanoylcyclohexane-1-carboxamide?
The InChIKey is VWSRXGYIYNTREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-10(13)8-4-6-9(7-5-8)11(14)12-2/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-methyl-4-propanoylcyclohexane-1-carboxamide?
N-methyl-4-propanoylcyclohexane-1-carboxamide 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 N-methyl-4-propanoylcyclohexane-1-carboxamide is sourced from PubChem (CID 170174898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).