1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C12H23N3O3 — CID 113182823

IUPAC1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C12H23N3O3/c1-14(2)5-6-15-9-10(8-11(15)16)12(17)13-4-7-18-3/h10H,4-9H2,1-3H3,(H,13,17)
InChIKeyLGWJUORMRLSZJV-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.84
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182823) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182823
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C12H23N3O3/c1-14(2)5-6-15-9-10(8-11(15)16)12(17)13-4-7-18-3/h10H,4-9H2,1-3H3,(H,13,17)
InChIKeyLGWJUORMRLSZJV-UHFFFAOYSA-N
XLogP-0.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
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'}

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Related Compounds

N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
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
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185402
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
methyl (E)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]pent-2-enoate
CID 146099920
1-(2-methoxyethyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 119444938
(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 96568281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 113182823) is 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCNC(=O)C1CC(=O)N(CCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LGWJUORMRLSZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14(2)5-6-15-9-10(8-11(15)16)12(17)13-4-7-18-3/h10H,4-9H2,1-3H3,(H,13,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).