2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H21N3O5 — CID 646276

IUPAC2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O5/c1-26-16-7-3-2-5-14(16)22-20(25)23-10-4-6-15(23)19(24)21-13-8-9-17-18(11-13)28-12-27-17/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFZAUMTPNFBRMFY-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.06
Rot. Bonds4

About 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 646276) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID646276
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O5/c1-26-16-7-3-2-5-14(16)22-20(25)23-10-4-6-15(23)19(24)21-13-8-9-17-18(11-13)28-12-27-17/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyFZAUMTPNFBRMFY-UHFFFAOYSA-N
XLogP3.06
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468684
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151021
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792295
(2R)-2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 1468785
2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 649014
2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219774
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468862
2-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3359055
(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468739
2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 646276) is 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FZAUMTPNFBRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-16-7-3-2-5-14(16)22-20(25)23-10-4-6-15(23)19(24)21-13-8-9-17-18(11-13)28-12-27-17/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 646276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).