N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H19NO3 — CID 46698192

IUPACN-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NC1CCCC1
InChIInChI=1S/C15H19NO3/c1-10-14(15(17)16-11-6-2-3-7-11)19-13-9-5-4-8-12(13)18-10/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyNPJYUQKRWFTZQO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.27
Rot. Bonds2

About N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 46698192) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID46698192
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NC1CCCC1
InChIInChI=1S/C15H19NO3/c1-10-14(15(17)16-11-6-2-3-7-11)19-13-9-5-4-8-12(13)18-10/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyNPJYUQKRWFTZQO-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43394161
[2-(cyclopentylamino)-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 47015863
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774219
(2S,3R)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51729980
(2S,3S)-2-methyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 129418427
N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 119589875
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 126934567
(2S,3S)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7246479
(2S,3R)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 100748728
N-[1-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-4-yl]acetamide
CID 94351144
[3-(methylamino)piperidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone;hydrochloride
CID 119489248
N-(2-acetamidoethyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43045136

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 46698192) is N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is NPJYUQKRWFTZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-14(15(17)16-11-6-2-3-7-11)19-13-9-5-4-8-12(13)18-10/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 46698192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).