N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide

C16H20N2O4 — CID 46948593

IUPACN-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCC(C)(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H20N2O4/c1-3-14(19)18-7-6-16(2,9-18)15(20)17-11-4-5-12-13(8-11)22-10-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyFFRLVWAWDWAHII-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.00
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide (PubChem CID 46948593) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide
PubChem CID46948593
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCC(C)(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H20N2O4/c1-3-14(19)18-7-6-16(2,9-18)15(20)17-11-4-5-12-13(8-11)22-10-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyFFRLVWAWDWAHII-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950080
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CID 131661543
N-(1,3-benzodioxol-5-yl)-1-benzoyl-2-methylazetidine-2-carboxamide
CID 46948137
(2S,3S)-2-N-(1,3-benzodioxol-5-yl)-5-N,5-N-dimethyl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97372544
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
1-(1,3-benzodioxol-5-yl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53090017
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
1-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122075810
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 120771976
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 45355709

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide (CID 46948593) is N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide is CCC(=O)N1CCC(C)(C(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide?
The InChIKey is FFRLVWAWDWAHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-14(19)18-7-6-16(2,9-18)15(20)17-11-4-5-12-13(8-11)22-10-21-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.00, 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-yl)-3-methyl-1-propanoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46948593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).