cyclohexanecarboxylic acid;N-methylbenzamide

C15H21NO3 — CID 70533648

IUPACcyclohexanecarboxylic acid;N-methylbenzamide
SMILESCNC(=O)c1ccccc1.O=C(O)C1CCCCC1
InChIInChI=1S/C8H9NO.C7H12O2/c1-9-8(10)7-5-3-2-4-6-7;8-7(9)6-4-2-1-3-5-6/h2-6H,1H3,(H,9,10);6H,1-5H2,(H,8,9)
InChIKeyRSGCWAIJRJBODC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds2

About cyclohexanecarboxylic acid;N-methylbenzamide

cyclohexanecarboxylic acid;N-methylbenzamide (PubChem CID 70533648) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;N-methylbenzamide.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;N-methylbenzamide
PubChem CID70533648
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namecyclohexanecarboxylic acid;N-methylbenzamide
SMILESCNC(=O)c1ccccc1.O=C(O)C1CCCCC1
InChIInChI=1S/C8H9NO.C7H12O2/c1-9-8(10)7-5-3-2-4-6-7;8-7(9)6-4-2-1-3-5-6/h2-6H,1H3,(H,9,10);6H,1-5H2,(H,8,9)
InChIKeyRSGCWAIJRJBODC-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylbenzamide
CID 11954
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
CID 66812751
CID 66812751
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-methylbenzamide;sulfuryl dichloride
CID 158851255
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
methanamine;bis(N-methylbenzamide);1-phenylethanone
CID 161091192

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;N-methylbenzamide?
The IUPAC name of cyclohexanecarboxylic acid;N-methylbenzamide (CID 70533648) is cyclohexanecarboxylic acid;N-methylbenzamide.
What is the SMILES notation for cyclohexanecarboxylic acid;N-methylbenzamide?
The canonical SMILES for cyclohexanecarboxylic acid;N-methylbenzamide is CNC(=O)c1ccccc1.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;N-methylbenzamide?
The InChIKey is RSGCWAIJRJBODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C7H12O2/c1-9-8(10)7-5-3-2-4-6-7;8-7(9)6-4-2-1-3-5-6/h2-6H,1H3,(H,9,10);6H,1-5H2,(H,8,9).
What are the key properties of cyclohexanecarboxylic acid;N-methylbenzamide?
cyclohexanecarboxylic acid;N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;N-methylbenzamide is sourced from PubChem (CID 70533648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).