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

C23H27N3O3 — CID 8891763

IUPAC(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC)c2)CC1=O
InChIInChI=1S/C23H27N3O3/c1-4-15(2)19-10-5-6-11-20(19)26-14-17(13-21(26)27)23(29)25-18-9-7-8-16(12-18)22(28)24-3/h5-12,15,17H,4,13-14H2,1-3H3,(H,24,28)(H,25,29)/t15-,17+/m0/s1
InChIKeyMUPXCSJEPAXHHU-DOTOQJQBSA-N
MW393.49 g/mol
LogP3.55
Rot. Bonds6

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

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 8891763) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID8891763
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC)c2)CC1=O
InChIInChI=1S/C23H27N3O3/c1-4-15(2)19-10-5-6-11-20(19)26-14-17(13-21(26)27)23(29)25-18-9-7-8-16(12-18)22(28)24-3/h5-12,15,17H,4,13-14H2,1-3H3,(H,24,28)(H,25,29)/t15-,17+/m0/s1
InChIKeyMUPXCSJEPAXHHU-DOTOQJQBSA-N
XLogP3.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2458183
1-(2-butan-2-ylphenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55591779
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55497364
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
(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
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 7998981

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 8891763) is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC)c2)CC1=O.
What is the InChIKey of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MUPXCSJEPAXHHU-DOTOQJQBSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-15(2)19-10-5-6-11-20(19)26-14-17(13-21(26)27)23(29)25-18-9-7-8-16(12-18)22(28)24-3/h5-12,15,17H,4,13-14H2,1-3H3,(H,24,28)(H,25,29)/t15-,17+/m0/s1.
What are the key properties of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 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-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8891763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).