N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H33N3O4 — CID 42949200

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)CC2=O)cc1
InChIInChI=1S/C22H33N3O4/c1-15-11-24(12-16(2)29-15)22(3,4)14-23-21(27)17-10-20(26)25(13-17)18-6-8-19(28-5)9-7-18/h6-9,15-17H,10-14H2,1-5H3,(H,23,27)
InChIKeyYDMXUYDTJZQDRY-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42949200) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42949200
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)CC2=O)cc1
InChIInChI=1S/C22H33N3O4/c1-15-11-24(12-16(2)29-15)22(3,4)14-23-21(27)17-10-20(26)25(13-17)18-6-8-19(28-5)9-7-18/h6-9,15-17H,10-14H2,1-5H3,(H,23,27)
InChIKeyYDMXUYDTJZQDRY-UHFFFAOYSA-N
XLogP2.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55647597
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42949200) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)CC2=O)cc1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YDMXUYDTJZQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-15-11-24(12-16(2)29-15)22(3,4)14-23-21(27)17-10-20(26)25(13-17)18-6-8-19(28-5)9-7-18/h6-9,15-17H,10-14H2,1-5H3,(H,23,27).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42949200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).