N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C16H22N2O3 — CID 60806852

IUPACN-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCCCN(C(=O)c1cccc2c1OCCO2)C1CCNC1
InChIInChI=1S/C16H22N2O3/c1-2-8-18(12-6-7-17-11-12)16(19)13-4-3-5-14-15(13)21-10-9-20-14/h3-5,12,17H,2,6-11H2,1H3
InChIKeyOTUAYDMTKNLWMO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.67
Rot. Bonds4

About N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 60806852) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID60806852
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCCCN(C(=O)c1cccc2c1OCCO2)C1CCNC1
InChIInChI=1S/C16H22N2O3/c1-2-8-18(12-6-7-17-11-12)16(19)13-4-3-5-14-15(13)21-10-9-20-14/h3-5,12,17H,2,6-11H2,1H3
InChIKeyOTUAYDMTKNLWMO-UHFFFAOYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119530042
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-piperidin-4-yl-1-propylurea
CID 166248880
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 60806852) is N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CCCN(C(=O)c1cccc2c1OCCO2)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is OTUAYDMTKNLWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-8-18(12-6-7-17-11-12)16(19)13-4-3-5-14-15(13)21-10-9-20-14/h3-5,12,17H,2,6-11H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 60806852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).