N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C16H21NO2 — CID 102634428

IUPACN-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(C(=O)C1Cc2ccccc21)C1CCCCC1O
InChIInChI=1S/C16H21NO2/c1-17(14-8-4-5-9-15(14)18)16(19)13-10-11-6-2-3-7-12(11)13/h2-3,6-7,13-15,18H,4-5,8-10H2,1H3
InChIKeyIUQVVMRXWHGJCU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 102634428) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID102634428
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(C(=O)C1Cc2ccccc21)C1CCCCC1O
InChIInChI=1S/C16H21NO2/c1-17(14-8-4-5-9-15(14)18)16(19)13-10-11-6-2-3-7-12(11)13/h2-3,6-7,13-15,18H,4-5,8-10H2,1H3
InChIKeyIUQVVMRXWHGJCU-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79121868
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395366
N-methyl-N-[4-(methylamino)cyclohexyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79123084
N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396917
(2S,3R)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-3-phenyloxirane-2-carboxamide
CID 87512927
tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 84584797
methyl 2-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(cyclopentyl)amino]acetate
CID 80717906
N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356408
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102874151
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 102638821

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 102634428) is N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CN(C(=O)C1Cc2ccccc21)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is IUQVVMRXWHGJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17(14-8-4-5-9-15(14)18)16(19)13-10-11-6-2-3-7-12(11)13/h2-3,6-7,13-15,18H,4-5,8-10H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 102634428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).