(3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H24N2O5 — CID 52800181

IUPAC(3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@H](C(=O)NC(C)(C)c2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C22H24N2O5/c1-22(2,15-8-9-18-19(11-15)29-13-28-18)23-21(26)14-10-20(25)24(12-14)16-6-4-5-7-17(16)27-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyDLMFMXSKVKRSCF-CQSZACIVSA-N
MW396.44 g/mol
LogP2.83
Rot. Bonds5

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

(3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52800181) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52800181
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@H](C(=O)NC(C)(C)c2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C22H24N2O5/c1-22(2,15-8-9-18-19(11-15)29-13-28-18)23-21(26)14-10-20(25)24(12-14)16-6-4-5-7-17(16)27-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyDLMFMXSKVKRSCF-CQSZACIVSA-N
XLogP2.83
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(1,3-benzodioxol-5-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2572856
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51147467
4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119204598
2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
CID 119192397
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9396752
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24624374
(3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 95353115
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 52800181) is (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1C[C@H](C(=O)NC(C)(C)c2ccc3c(c2)OCO3)CC1=O.
What is the InChIKey of (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DLMFMXSKVKRSCF-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-22(2,15-8-9-18-19(11-15)29-13-28-18)23-21(26)14-10-20(25)24(12-14)16-6-4-5-7-17(16)27-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52800181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).