N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

C12H22N2O4 — CID 113182494

IUPACN-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)NCCOC)CC1=O
InChIInChI=1S/C12H22N2O4/c1-17-6-3-5-14-9-10(8-11(14)15)12(16)13-4-7-18-2/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyJIAXPKANOIRQMQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.37
Rot. Bonds8

About N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182494) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182494
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)NCCOC)CC1=O
InChIInChI=1S/C12H22N2O4/c1-17-6-3-5-14-9-10(8-11(14)15)12(16)13-4-7-18-2/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyJIAXPKANOIRQMQ-UHFFFAOYSA-N
XLogP-0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.37
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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Related Compounds

1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182532
N-[2-(2-hydroxyethoxy)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55024342
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182519
N-[2-(2-methoxyphenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182521
1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182530
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
1-[2-(4-methoxyphenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113184609
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate
CID 146099920

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 113182494) is N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCN1CC(C(=O)NCCOC)CC1=O.
What is the InChIKey of N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JIAXPKANOIRQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-17-6-3-5-14-9-10(8-11(14)15)12(16)13-4-7-18-2/h10H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).