2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

C18H33N3O3 — CID 46247124

IUPAC2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C18H33N3O3/c1-15(2)6-8-19-17(23)18(3)7-5-16(22)21(18)10-4-9-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyZRGJPPSRSHAUEN-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.25
Rot. Bonds8

About 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 46247124) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID46247124
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C18H33N3O3/c1-15(2)6-8-19-17(23)18(3)7-5-16(22)21(18)10-4-9-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyZRGJPPSRSHAUEN-UHFFFAOYSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 46247124) is 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZRGJPPSRSHAUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-15(2)6-8-19-17(23)18(3)7-5-16(22)21(18)10-4-9-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,23).
What are the key properties of 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46247124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).