(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C17H24N2O3 — CID 92731000

IUPAC(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@]1(C)CCC(=O)N1c1cc(C)ccc1C
InChIInChI=1S/C17H24N2O3/c1-12-5-6-13(2)14(11-12)19-15(20)7-8-17(19,3)16(21)18-9-10-22-4/h5-6,11H,7-10H2,1-4H3,(H,18,21)/t17-/m1/s1
InChIKeyOHWOMSQTCUWNTE-QGZVFWFLSA-N
MW304.39 g/mol
LogP1.95
Rot. Bonds5

About (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92731000) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID92731000
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@]1(C)CCC(=O)N1c1cc(C)ccc1C
InChIInChI=1S/C17H24N2O3/c1-12-5-6-13(2)14(11-12)19-15(20)7-8-17(19,3)16(21)18-9-10-22-4/h5-6,11H,7-10H2,1-4H3,(H,18,21)/t17-/m1/s1
InChIKeyOHWOMSQTCUWNTE-QGZVFWFLSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.95
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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Related Compounds

(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731028
1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363706
(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92731010
N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363694
(2R)-1-(4-ethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730993
1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363647
1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363645
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
(2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 92726804
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730973
(2R)-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731014
N-(3-ethoxypropyl)-1-(2-methoxyphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363632

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 92731000) is (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is COCCNC(=O)[C@@]1(C)CCC(=O)N1c1cc(C)ccc1C.
What is the InChIKey of (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OHWOMSQTCUWNTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-5-6-13(2)14(11-12)19-15(20)7-8-17(19,3)16(21)18-9-10-22-4/h5-6,11H,7-10H2,1-4H3,(H,18,21)/t17-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92731000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).