N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H23NO3 — CID 25162668

IUPACN-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc3c(c2)OCCO3)C1C
InChIInChI=1S/C17H23NO3/c1-11-4-3-5-14(12(11)2)18-17(19)13-6-7-15-16(10-13)21-9-8-20-15/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyCOVSYONWPNOIFB-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.01
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 25162668) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID25162668
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc3c(c2)OCCO3)C1C
InChIInChI=1S/C17H23NO3/c1-11-4-3-5-14(12(11)2)18-17(19)13-6-7-15-16(10-13)21-9-8-20-15/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyCOVSYONWPNOIFB-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63251687
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 124866470
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 11920833
N-(2,3-dimethylcyclohexyl)-4-hydrazinyl-3-methylbenzamide
CID 63211656
[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 11918188
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 25162668) is N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC1CCCC(NC(=O)c2ccc3c(c2)OCCO3)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is COVSYONWPNOIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-4-3-5-14(12(11)2)18-17(19)13-6-7-15-16(10-13)21-9-8-20-15/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 25162668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).