N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide

C15H20N2O3 — CID 63714960

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-10-6-16-7-12(10)15(18)17(2)8-11-3-4-13-14(5-11)20-9-19-13/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyYIGMLAGYLZBCPG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.23
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 63714960) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID63714960
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-10-6-16-7-12(10)15(18)17(2)8-11-3-4-13-14(5-11)20-9-19-13/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyYIGMLAGYLZBCPG-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide
CID 52990222
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 39952466
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79379133
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 78801154
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide (CID 63714960) is N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is YIGMLAGYLZBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-16-7-12(10)15(18)17(2)8-11-3-4-13-14(5-11)20-9-19-13/h3-5,10,12,16H,6-9H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).