N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide

C9H16N2O4 — CID 79676055

IUPACN-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCONC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C9H16N2O4/c1-11-6-7(5-8(11)12)9(13)10-15-4-3-14-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyUABXTVREBOFFGF-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.84
Rot. Bonds5

About N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 79676055) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID79676055
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC NameN-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCONC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C9H16N2O4/c1-11-6-7(5-8(11)12)9(13)10-15-4-3-14-2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyUABXTVREBOFFGF-UHFFFAOYSA-N
XLogP-0.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethoxy)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550970
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344
(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94092850
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 54993619
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 107362651
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 79676055) is N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide is COCCONC(=O)C1CC(=O)N(C)C1.
What is the InChIKey of N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UABXTVREBOFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-11-6-7(5-8(11)12)9(13)10-15-4-3-14-2/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of -0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 79676055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).