N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C18H26N2O3 — CID 113185623

IUPACN-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-4-23-16-8-6-5-7-15(16)19-18(22)14-11-17(21)20(12-14)10-9-13(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,22)
InChIKeyUNYAZVOWGNVJJO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds7

About N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185623) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113185623
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-4-23-16-8-6-5-7-15(16)19-18(22)14-11-17(21)20(12-14)10-9-13(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,22)
InChIKeyUNYAZVOWGNVJJO-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42989525
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
(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
(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220419
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
N-(2-methoxyphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185346
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
1-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160103
1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184695

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 113185623) is N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CC(=O)N(CCC(C)C)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UNYAZVOWGNVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-23-16-8-6-5-7-15(16)19-18(22)14-11-17(21)20(12-14)10-9-13(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).