N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C13H24N2O3 — CID 51361548

IUPACN-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CCOC
InChIInChI=1S/C13H24N2O3/c1-4-5-8-14-12(17)13(2)7-6-11(16)15(13)9-10-18-3/h4-10H2,1-3H3,(H,14,17)
InChIKeyRBOFTTNNIDKUML-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds7

About N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361548) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361548
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CCOC
InChIInChI=1S/C13H24N2O3/c1-4-5-8-14-12(17)13(2)7-6-11(16)15(13)9-10-18-3/h4-10H2,1-3H3,(H,14,17)
InChIKeyRBOFTTNNIDKUML-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361548) is N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)C1(C)CCC(=O)N1CCOC.
What is the InChIKey of N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RBOFTTNNIDKUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-5-8-14-12(17)13(2)7-6-11(16)15(13)9-10-18-3/h4-10H2,1-3H3,(H,14,17).
What are the key properties of N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).