1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C25H39N3O4 — CID 43045339

IUPAC1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)NCC2CN(CC(C)C)CCO2)C1c1ccc(OC)cc1
InChIInChI=1S/C25H39N3O4/c1-5-6-11-28-23(29)14-22(24(28)19-7-9-20(31-4)10-8-19)25(30)26-15-21-17-27(12-13-32-21)16-18(2)3/h7-10,18,21-22,24H,5-6,11-17H2,1-4H3,(H,26,30)
InChIKeyHEGOZBQIDDIRBR-UHFFFAOYSA-N
MW445.60 g/mol
LogP2.86
Rot. Bonds10

About 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43045339) has the molecular formula C25H39N3O4 and a molecular weight of 445.60 g/mol. Its IUPAC name is 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43045339
Molecular FormulaC25H39N3O4
Molecular Weight445.60 g/mol
Exact Mass445.29
IUPAC Name1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)NCC2CN(CC(C)C)CCO2)C1c1ccc(OC)cc1
InChIInChI=1S/C25H39N3O4/c1-5-6-11-28-23(29)14-22(24(28)19-7-9-20(31-4)10-8-19)25(30)26-15-21-17-27(12-13-32-21)16-18(2)3/h7-10,18,21-22,24H,5-6,11-17H2,1-4H3,(H,26,30)
InChIKeyHEGOZBQIDDIRBR-UHFFFAOYSA-N
XLogP2.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 43045339) is 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)NCC2CN(CC(C)C)CCO2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HEGOZBQIDDIRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4/c1-5-6-11-28-23(29)14-22(24(28)19-7-9-20(31-4)10-8-19)25(30)26-15-21-17-27(12-13-32-21)16-18(2)3/h7-10,18,21-22,24H,5-6,11-17H2,1-4H3,(H,26,30).
What are the key properties of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 445.60 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43045339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).