1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O2 — CID 42947097

IUPAC1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1
InChIInChI=1S/C23H28N2O2/c1-5-17-9-7-10-19(12-17)25-14-18(13-21(25)26)23(27)24-22-16(4)8-6-11-20(22)15(2)3/h6-12,15,18H,5,13-14H2,1-4H3,(H,24,27)
InChIKeyOTFHNRDJFNKEBZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.67
Rot. Bonds5

About 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42947097) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42947097
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1
InChIInChI=1S/C23H28N2O2/c1-5-17-9-7-10-19(12-17)25-14-18(13-21(25)26)23(27)24-22-16(4)8-6-11-20(22)15(2)3/h6-12,15,18H,5,13-14H2,1-4H3,(H,24,27)
InChIKeyOTFHNRDJFNKEBZ-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7393881
N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946643
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199
1-(3-chloro-2-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187521
N-(2-chloro-4-methylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946788
methyl 3-[4-[(2,6-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189320
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42997194
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184557

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42947097) is 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(N2CC(C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1.
What is the InChIKey of 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OTFHNRDJFNKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-5-17-9-7-10-19(12-17)25-14-18(13-21(25)26)23(27)24-22-16(4)8-6-11-20(22)15(2)3/h6-12,15,18H,5,13-14H2,1-4H3,(H,24,27).
What are the key properties of 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42947097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).