(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C18H26N2O3 — CID 92731010

IUPAC(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@]1(C)CCC(=O)N1CCc1ccc(C)cc1
InChIInChI=1S/C18H26N2O3/c1-14-4-6-15(7-5-14)9-12-20-16(21)8-10-18(20,2)17(22)19-11-13-23-3/h4-7H,8-13H2,1-3H3,(H,19,22)/t18-/m1/s1
InChIKeyFJNPYPMUSDDLCB-GOSISDBHSA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds7

About (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 92731010) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID92731010
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@]1(C)CCC(=O)N1CCc1ccc(C)cc1
InChIInChI=1S/C18H26N2O3/c1-14-4-6-15(7-5-14)9-12-20-16(21)8-10-18(20,2)17(22)19-11-13-23-3/h4-7H,8-13H2,1-3H3,(H,19,22)/t18-/m1/s1
InChIKeyFJNPYPMUSDDLCB-GOSISDBHSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 92731010) is (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is COCCNC(=O)[C@@]1(C)CCC(=O)N1CCc1ccc(C)cc1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FJNPYPMUSDDLCB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-4-6-15(7-5-14)9-12-20-16(21)8-10-18(20,2)17(22)19-11-13-23-3/h4-7H,8-13H2,1-3H3,(H,19,22)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92731010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).