N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H24N2O2 — CID 42946643

IUPACN-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3cccc(C)c3C)CC2=O)c1
InChIInChI=1S/C21H24N2O2/c1-4-16-8-6-9-18(11-16)23-13-17(12-20(23)24)21(25)22-19-10-5-7-14(2)15(19)3/h5-11,17H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyDCCLXIXWAAJRBR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.86
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42946643) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42946643
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3cccc(C)c3C)CC2=O)c1
InChIInChI=1S/C21H24N2O2/c1-4-16-8-6-9-18(11-16)23-13-17(12-20(23)24)21(25)22-19-10-5-7-14(2)15(19)3/h5-11,17H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyDCCLXIXWAAJRBR-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
N-(2-chloro-4-methylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946788
1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42947097
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1038967
(3R)-N-(2,3-dimethylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058180
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-(2,3-dimethylphenyl)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844748
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42946643) is N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(N2CC(C(=O)Nc3cccc(C)c3C)CC2=O)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DCCLXIXWAAJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-16-8-6-9-18(11-16)23-13-17(12-20(23)24)21(25)22-19-10-5-7-14(2)15(19)3/h5-11,17H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42946643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).