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

C21H24N2O3 — CID 7220419

IUPAC(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C21H24N2O3/c1-4-26-19-8-6-5-7-18(19)22-21(25)16-12-20(24)23(13-16)17-10-14(2)9-15(3)11-17/h5-11,16H,4,12-13H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyYBOKBRAOYKBGBK-INIZCTEOSA-N
MW352.43 g/mol
LogP3.69
Rot. Bonds5

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

(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7220419) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7220419
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C21H24N2O3/c1-4-26-19-8-6-5-7-18(19)22-21(25)16-12-20(24)23(13-16)17-10-14(2)9-15(3)11-17/h5-11,16H,4,12-13H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyYBOKBRAOYKBGBK-INIZCTEOSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-bromophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102179
(3R)-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084233
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
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
1-(5-chloro-2-methylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187635
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098430
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885855
1-(4-methylphenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507499
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005208

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7220419) is (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1.
What is the InChIKey of (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YBOKBRAOYKBGBK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-26-19-8-6-5-7-18(19)22-21(25)16-12-20(24)23(13-16)17-10-14(2)9-15(3)11-17/h5-11,16H,4,12-13H2,1-3H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7220419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).