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

C15H19NO3 — CID 39212067

IUPACN-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCC1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19NO3/c17-15(16-10-11-3-1-2-4-11)12-5-6-13-14(9-12)19-8-7-18-13/h5-6,9,11H,1-4,7-8,10H2,(H,16,17)
InChIKeyUCDBQVWPCBRFOC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds3

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

N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 39212067) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID39212067
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCC1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19NO3/c17-15(16-10-11-3-1-2-4-11)12-5-6-13-14(9-12)19-8-7-18-13/h5-6,9,11H,1-4,7-8,10H2,(H,16,17)
InChIKeyUCDBQVWPCBRFOC-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580285
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313884
tert-butyl (3S)-3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]piperidine-1-carboxylate
CID 97172233
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
N-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 46531385
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91812988
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 114317356
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 120943158
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106124041

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 39212067) is N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NCC1CCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is UCDBQVWPCBRFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(16-10-11-3-1-2-4-11)12-5-6-13-14(9-12)19-8-7-18-13/h5-6,9,11H,1-4,7-8,10H2,(H,16,17).
What are the key properties of N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 39212067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).