4-N-methylcyclohexane-1,4-dicarboxamide

C9H16N2O2 — CID 131039944

IUPAC4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCNC(=O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O2/c1-11-9(13)7-4-2-6(3-5-7)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyAXTHGWDNMUJCQY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.02
Rot. Bonds2

About 4-N-methylcyclohexane-1,4-dicarboxamide

4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 131039944) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID131039944
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCNC(=O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O2/c1-11-9(13)7-4-2-6(3-5-7)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyAXTHGWDNMUJCQY-UHFFFAOYSA-N
XLogP0.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
CID 89404179
CID 89404179
N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
cyclopropanecarboxamide;propanamide
CID 174752815
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
N-methyl-4-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 155198720
N-methylspiro[2.5]octane-6-carboxamide
CID 59578553
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
cyclopropanecarboxamide;formic acid
CID 161444896
4-propanoylcyclohexane-1-carboxamide
CID 118218321
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319

Frequently Asked Questions

What is the IUPAC name of 4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-methylcyclohexane-1,4-dicarboxamide (CID 131039944) is 4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-methylcyclohexane-1,4-dicarboxamide is CNC(=O)C1CCC(C(N)=O)CC1.
What is the InChIKey of 4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is AXTHGWDNMUJCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11-9(13)7-4-2-6(3-5-7)8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 4-N-methylcyclohexane-1,4-dicarboxamide?
4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 131039944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).