1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C25H32N2O2 — CID 42997194

IUPAC1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c1C
InChIInChI=1S/C25H32N2O2/c1-15(2)20-10-8-11-21(16(3)4)24(20)26-25(29)19-13-23(28)27(14-19)22-12-7-9-17(5)18(22)6/h7-12,15-16,19H,13-14H2,1-6H3,(H,26,29)
InChIKeyVHNUAIONYBXNCY-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.54
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42997194) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42997194
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c1C
InChIInChI=1S/C25H32N2O2/c1-15(2)20-10-8-11-21(16(3)4)24(20)26-25(29)19-13-23(28)27(14-19)22-12-7-9-17(5)18(22)6/h7-12,15-16,19H,13-14H2,1-6H3,(H,26,29)
InChIKeyVHNUAIONYBXNCY-UHFFFAOYSA-N
XLogP5.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187521
(3R)-1-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7393881
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 26882760
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
1-(2,3-dimethylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 46651550
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186614

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 42997194) is 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VHNUAIONYBXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-15(2)20-10-8-11-21(16(3)4)24(20)26-25(29)19-13-23(28)27(14-19)22-12-7-9-17(5)18(22)6/h7-12,15-16,19H,13-14H2,1-6H3,(H,26,29).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42997194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).