N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide

C16H22N2O3 — CID 169286660

IUPACN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(Cc1ccc2c(c1)OCO2)N(C)C(=O)C1CCCN1
InChIInChI=1S/C16H22N2O3/c1-11(18(2)16(19)13-4-3-7-17-13)8-12-5-6-14-15(9-12)21-10-20-14/h5-6,9,11,13,17H,3-4,7-8,10H2,1-2H3
InChIKeyMLVIBVDJRSRCGK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 169286660) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID169286660
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(Cc1ccc2c(c1)OCO2)N(C)C(=O)C1CCCN1
InChIInChI=1S/C16H22N2O3/c1-11(18(2)16(19)13-4-3-7-17-13)8-12-5-6-14-15(9-12)21-10-20-14/h5-6,9,11,13,17H,3-4,7-8,10H2,1-2H3
InChIKeyMLVIBVDJRSRCGK-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
azetidine;N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylbut-3-ynamide;ethane
CID 166468701
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-tert-butyl-N-methylazetidine-3-carboxamide
CID 166468659
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-hydroxy-N-methylpropanamide
CID 166468308
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylbutanamide
CID 170289986
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
oxolan-3-yl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468674
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide
CID 169286663
[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxymethyl 2-(dimethylamino)acetate
CID 166468611
(3S)-3-amino-4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]-4-oxobutanoic acid
CID 167310185
tert-butyl 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]-4-oxobutanoate
CID 166468350

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide (CID 169286660) is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide is CC(Cc1ccc2c(c1)OCO2)N(C)C(=O)C1CCCN1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MLVIBVDJRSRCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(18(2)16(19)13-4-3-7-17-13)8-12-5-6-14-15(9-12)21-10-20-14/h5-6,9,11,13,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 169286660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).