(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O2 — CID 9056326

IUPAC(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)ccc2C)CC1=O
InChIInChI=1S/C23H28N2O2/c1-5-17-8-7-9-18(6-2)22(17)25-14-19(13-21(25)26)23(27)24-20-12-15(3)10-11-16(20)4/h7-12,19H,5-6,13-14H2,1-4H3,(H,24,27)/t19-/m1/s1
InChIKeyNLJQXPZLKUWONF-LJQANCHMSA-N
MW364.49 g/mol
LogP4.42
Rot. Bonds5

About (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9056326) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9056326
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)ccc2C)CC1=O
InChIInChI=1S/C23H28N2O2/c1-5-17-8-7-9-18(6-2)22(17)25-14-19(13-21(25)26)23(27)24-20-12-15(3)10-11-16(20)4/h7-12,19H,5-6,13-14H2,1-4H3,(H,24,27)/t19-/m1/s1
InChIKeyNLJQXPZLKUWONF-LJQANCHMSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
1-(2,6-diethylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113186866
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
methyl 3-[4-[(2,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189317
1-(4-acetamidophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120050
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9056326) is (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)ccc2C)CC1=O.
What is the InChIKey of (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NLJQXPZLKUWONF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-5-17-8-7-9-18(6-2)22(17)25-14-19(13-21(25)26)23(27)24-20-12-15(3)10-11-16(20)4/h7-12,19H,5-6,13-14H2,1-4H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9056326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).