N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C17H24N2O3 — CID 46363694

IUPACN-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(C)CCC(=O)N1Cc1cccc(C)c1
InChIInChI=1S/C17H24N2O3/c1-13-5-4-6-14(11-13)12-19-15(20)7-8-17(19,2)16(21)18-9-10-22-3/h4-6,11H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyXTKMAUZBBZSLNP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.64
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363694) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID46363694
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(C)CCC(=O)N1Cc1cccc(C)c1
InChIInChI=1S/C17H24N2O3/c1-13-5-4-6-14(11-13)12-19-15(20)7-8-17(19,2)16(21)18-9-10-22-3/h4-6,11H,7-10,12H2,1-3H3,(H,18,21)
InChIKeyXTKMAUZBBZSLNP-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.64
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

(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92731010
(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
(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731000
N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363621
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247157
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947
(6S)-N-(3-methoxypropyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739403
N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 46363610

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 46363694) is N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is COCCNC(=O)C1(C)CCC(=O)N1Cc1cccc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XTKMAUZBBZSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-5-4-6-14(11-13)12-19-15(20)7-8-17(19,2)16(21)18-9-10-22-3/h4-6,11H,7-10,12H2,1-3H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).