2-[cyclohexyl(methyl)carbamoyl]benzoate

C15H18NO3- — CID 2302400

IUPAC2-[cyclohexyl(methyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)[O-])C1CCCCC1
InChIInChI=1S/C15H19NO3/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(18)19/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,19)/p-1
InChIKeyVWCGBSLMTUMNKU-UHFFFAOYSA-M
MW260.31 g/mol
LogP1.45
Rot. Bonds3

About 2-[cyclohexyl(methyl)carbamoyl]benzoate

2-[cyclohexyl(methyl)carbamoyl]benzoate (PubChem CID 2302400) has the molecular formula C15H18NO3- and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)carbamoyl]benzoate
PubChem CID2302400
Molecular FormulaC15H18NO3-
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-[cyclohexyl(methyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)[O-])C1CCCCC1
InChIInChI=1S/C15H19NO3/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(18)19/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,19)/p-1
InChIKeyVWCGBSLMTUMNKU-UHFFFAOYSA-M
XLogP1.45
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931
2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
CID 112811303
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide
CID 15996026
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
2-(2-cyanophenyl)-N-cyclopentyl-N-methylbenzamide
CID 51268476

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The IUPAC name of 2-[cyclohexyl(methyl)carbamoyl]benzoate (CID 2302400) is 2-[cyclohexyl(methyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The canonical SMILES for 2-[cyclohexyl(methyl)carbamoyl]benzoate is CN(C(=O)c1ccccc1C(=O)[O-])C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The InChIKey is VWCGBSLMTUMNKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19NO3/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(18)19/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-[cyclohexyl(methyl)carbamoyl]benzoate?
2-[cyclohexyl(methyl)carbamoyl]benzoate has a molecular weight of 260.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 2302400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).