N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C17H24N2O4 — CID 46363685

IUPACN-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O4/c1-17(16(21)18-10-11-22-2)9-8-15(20)19(17)12-13-4-6-14(23-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,18,21)
InChIKeyRNFGKCHUEQTMLD-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.34
Rot. Bonds7

About N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363685) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID46363685
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O4/c1-17(16(21)18-10-11-22-2)9-8-15(20)19(17)12-13-4-6-14(23-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,18,21)
InChIKeyRNFGKCHUEQTMLD-UHFFFAOYSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 46363685) is N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RNFGKCHUEQTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(16(21)18-10-11-22-2)9-8-15(20)19(17)12-13-4-6-14(23-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).