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

C15H21ClN2O3 — CID 119679855

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2COc3ccccc3O2)CCNC1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-15(6-7-16-10-15)14(18)17-8-11-9-19-12-4-2-3-5-13(12)20-11;/h2-5,11,16H,6-10H2,1H3,(H,17,18);1H
InChIKeyREESKNUHSPTDDP-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.36
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119679855) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119679855
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2COc3ccccc3O2)CCNC1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-15(6-7-16-10-15)14(18)17-8-11-9-19-12-4-2-3-5-13(12)20-11;/h2-5,11,16H,6-10H2,1H3,(H,17,18);1H
InChIKeyREESKNUHSPTDDP-UHFFFAOYSA-N
XLogP1.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 790018
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 64679625
trans-(1R,3R)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124769734
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopenta-2,4-diene-1-carboxamide
CID 23994011
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108529023
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79793283
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-ethylphenyl)acetamide
CID 100583739
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methylsulfanylfuran-2-carboxamide
CID 86940495

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119679855) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)NCC2COc3ccccc3O2)CCNC1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is REESKNUHSPTDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-15(6-7-16-10-15)14(18)17-8-11-9-19-12-4-2-3-5-13(12)20-11;/h2-5,11,16H,6-10H2,1H3,(H,17,18);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 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)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119679855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).