N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26N2O3 — CID 113186469

IUPACN-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC(=O)N(c2c(C)cccc2CC)C1
InChIInChI=1S/C22H26N2O3/c1-4-16-10-8-9-15(3)21(16)24-14-17(13-20(24)25)22(26)23-18-11-6-7-12-19(18)27-5-2/h6-12,17H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyDGTFSGNFULQXND-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.95
Rot. Bonds6

About N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186469) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113186469
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC(=O)N(c2c(C)cccc2CC)C1
InChIInChI=1S/C22H26N2O3/c1-4-16-10-8-9-15(3)21(16)24-14-17(13-20(24)25)22(26)23-18-11-6-7-12-19(18)27-5-2/h6-12,17H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyDGTFSGNFULQXND-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113186501
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3R)-N-(2,3-dimethylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2599596
(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220419
1-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160103
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
1-(5-chloro-2-methylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187635
(3S)-1-(4-bromophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102179

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113186469) is N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CC(=O)N(c2c(C)cccc2CC)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DGTFSGNFULQXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-16-10-8-9-15(3)21(16)24-14-17(13-20(24)25)22(26)23-18-11-6-7-12-19(18)27-5-2/h6-12,17H,4-5,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).