(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O3 — CID 7947509

IUPAC(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-4-16(3)20-8-6-7-9-21(20)25-15-17(14-22(25)26)23(27)24-18-10-12-19(13-11-18)28-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,24,27)/t16-,17+/m0/s1
InChIKeyZPCXILAICYIFIM-DLBZAZTESA-N
MW380.49 g/mol
LogP4.59
Rot. Bonds7

About (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7947509) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7947509
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-4-16(3)20-8-6-7-9-21(20)25-15-17(14-22(25)26)23(27)24-18-10-12-19(13-11-18)28-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,24,27)/t16-,17+/m0/s1
InChIKeyZPCXILAICYIFIM-DLBZAZTESA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509
(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2458183
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 7998981
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 98399133
(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)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7947509) is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)cc1.
What is the InChIKey of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZPCXILAICYIFIM-DLBZAZTESA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-16(3)20-8-6-7-9-21(20)25-15-17(14-22(25)26)23(27)24-18-10-12-19(13-11-18)28-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,24,27)/t16-,17+/m0/s1.
What are the key properties of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7947509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).