N-acetyl-N-methylcyclohexanecarboxamide

C10H17NO2 — CID 122207719

IUPACN-acetyl-N-methylcyclohexanecarboxamide
SMILESCC(=O)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(12)11(2)10(13)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyQABMCIKATKSYFX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds1

About N-acetyl-N-methylcyclohexanecarboxamide

N-acetyl-N-methylcyclohexanecarboxamide (PubChem CID 122207719) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-acetyl-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-acetyl-N-methylcyclohexanecarboxamide
PubChem CID122207719
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-acetyl-N-methylcyclohexanecarboxamide
SMILESCC(=O)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-8(12)11(2)10(13)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyQABMCIKATKSYFX-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
Hexanamide, N,N,2-triethyl-
CID 112187
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
Valeramide, N,N,2-tripropyl-
CID 201025
Valeramide, N,N-diethyl-2-propyl-
CID 209794
Piperidine, 1-(cyclohexylcarbonyl)-3-methyl-
CID 2915080
AI3-36325
CID 3052161
1-Cyclohexylcarbonyl-2-ethylpiperidine
CID 2915910
N,N-Dimethylcyclohexanecarboxamide
CID 567668

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-methylcyclohexanecarboxamide?
The IUPAC name of N-acetyl-N-methylcyclohexanecarboxamide (CID 122207719) is N-acetyl-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-acetyl-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-acetyl-N-methylcyclohexanecarboxamide is CC(=O)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-acetyl-N-methylcyclohexanecarboxamide?
The InChIKey is QABMCIKATKSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)11(2)10(13)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of N-acetyl-N-methylcyclohexanecarboxamide?
N-acetyl-N-methylcyclohexanecarboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 122207719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).