1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H31N3O4 — CID 55603184

IUPAC1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H31N3O4/c26-21-12-19(15-25(21)14-17-4-2-1-3-5-17)22(27)23-13-20(18-6-9-29-16-18)24-7-10-28-11-8-24/h1-5,18-20H,6-16H2,(H,23,27)
InChIKeyGLXFIPHTGASQCR-UHFFFAOYSA-N
MW401.51 g/mol
LogP0.89
Rot. Bonds7

About 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55603184) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55603184
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(C1CCOC1)N1CCOCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H31N3O4/c26-21-12-19(15-25(21)14-17-4-2-1-3-5-17)22(27)23-13-20(18-6-9-29-16-18)24-7-10-28-11-8-24/h1-5,18-20H,6-16H2,(H,23,27)
InChIKeyGLXFIPHTGASQCR-UHFFFAOYSA-N
XLogP0.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 55603184) is 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCC(C1CCOC1)N1CCOCC1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GLXFIPHTGASQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-21-12-19(15-25(21)14-17-4-2-1-3-5-17)22(27)23-13-20(18-6-9-29-16-18)24-7-10-28-11-8-24/h1-5,18-20H,6-16H2,(H,23,27).
What are the key properties of 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55603184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).