4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H27NO3 — CID 63784841

IUPAC4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)C1CCCCCC1
InChIInChI=1S/C16H27NO3/c1-17(14-6-4-2-3-5-7-14)15(18)12-8-10-13(11-9-12)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyJOXZQXUAUZFZRY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds3

About 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784841) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784841
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCC(C(=O)O)CC1)C1CCCCCC1
InChIInChI=1S/C16H27NO3/c1-17(14-6-4-2-3-5-7-14)15(18)12-8-10-13(11-9-12)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyJOXZQXUAUZFZRY-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
3-amino-N-cyclooctyl-N-methylcyclopentane-1-carboxamide
CID 119763854
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
N-cyclobutyl-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151010
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
3-amino-N-cyclopentyl-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119696942
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673677
4-[methyl-(2-methylsulfonylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673871

Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63784841) is 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCC(C(=O)O)CC1)C1CCCCCC1.
What is the InChIKey of 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JOXZQXUAUZFZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-17(14-6-4-2-3-5-7-14)15(18)12-8-10-13(11-9-12)16(19)20/h12-14H,2-11H2,1H3,(H,19,20).
What are the key properties of 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).