N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride

C16H23ClN2O3 — CID 119291099

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC1COc2ccccc2O1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-2-18(16(19)13-6-5-9-17-13)10-12-11-20-14-7-3-4-8-15(14)21-12;/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3;1H
InChIKeyWUEYEZDCEHQYOL-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.85
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119291099) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119291099
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC1COc2ccccc2O1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-2-18(16(19)13-6-5-9-17-13)10-12-11-20-14-7-3-4-8-15(14)21-12;/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3;1H
InChIKeyWUEYEZDCEHQYOL-UHFFFAOYSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119291108
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918609
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 60718700
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide;hydrochloride
CID 119267933
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119679860
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide
CID 43167892
(4R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-oxo-N-propylimidazolidine-4-carboxamide
CID 97098697
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-hydroxybenzamide
CID 112791959
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2525529
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030533
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methoxy-2-methylpropanamide
CID 103872991
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613861

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride (CID 119291099) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride is CCN(CC1COc2ccccc2O1)C(=O)C1CCCN1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WUEYEZDCEHQYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-2-18(16(19)13-6-5-9-17-13)10-12-11-20-14-7-3-4-8-15(14)21-12;/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119291099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).