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

C22H24N2O4 — CID 2458183

IUPAC(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C22H24N2O4/c1-3-14(2)17-6-4-5-7-18(17)24-12-15(10-21(24)25)22(26)23-16-8-9-19-20(11-16)28-13-27-19/h4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,23,26)/t14-,15-/m1/s1
InChIKeyIKHXPJYQEPZGIV-HUUCEWRRSA-N
MW380.44 g/mol
LogP3.92
Rot. Bonds5

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

(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 2458183) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID2458183
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C22H24N2O4/c1-3-14(2)17-6-4-5-7-18(17)24-12-15(10-21(24)25)22(26)23-16-8-9-19-20(11-16)28-13-27-19/h4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,23,26)/t14-,15-/m1/s1
InChIKeyIKHXPJYQEPZGIV-HUUCEWRRSA-N
XLogP3.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxamide
CID 36762289
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
1,3-benzodioxol-5-yl (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 7913336
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2572856
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8891763
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761294
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 2458183) is (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1=O.
What is the InChIKey of (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IKHXPJYQEPZGIV-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-14(2)17-6-4-5-7-18(17)24-12-15(10-21(24)25)22(26)23-16-8-9-19-20(11-16)28-13-27-19/h4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,23,26)/t14-,15-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2458183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).