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

C23H33N3O6 — CID 55642286

IUPAC1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)NCC(C3CCOC3)N3CCOCC3)CC2=O)c1
InChIInChI=1S/C23H33N3O6/c1-29-18-3-4-21(30-2)19(12-18)26-14-17(11-22(26)27)23(28)24-13-20(16-5-8-32-15-16)25-6-9-31-10-7-25/h3-4,12,16-17,20H,5-11,13-15H2,1-2H3,(H,24,28)
InChIKeyHAYWAOVUBDWLNV-UHFFFAOYSA-N
MW447.53 g/mol
LogP0.91
Rot. Bonds8

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

1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55642286) has the molecular formula C23H33N3O6 and a molecular weight of 447.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55642286
Molecular FormulaC23H33N3O6
Molecular Weight447.53 g/mol
Exact Mass447.24
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)NCC(C3CCOC3)N3CCOCC3)CC2=O)c1
InChIInChI=1S/C23H33N3O6/c1-29-18-3-4-21(30-2)19(12-18)26-14-17(11-22(26)27)23(28)24-13-20(16-5-8-32-15-16)25-6-9-31-10-7-25/h3-4,12,16-17,20H,5-11,13-15H2,1-2H3,(H,24,28)
InChIKeyHAYWAOVUBDWLNV-UHFFFAOYSA-N
XLogP0.91
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84504606
1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55603057
1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55603184
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9395060
(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124872834
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
(3S)-N-[(1R)-1-cyclopropylethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30838843
(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94021989
(3R)-1-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94039761
(3R)-1-(2,5-dimethoxyphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9394742
(3R)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37288434
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 55642286) is 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CC(C(=O)NCC(C3CCOC3)N3CCOCC3)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HAYWAOVUBDWLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O6/c1-29-18-3-4-21(30-2)19(12-18)26-14-17(11-22(26)27)23(28)24-13-20(16-5-8-32-15-16)25-6-9-31-10-7-25/h3-4,12,16-17,20H,5-11,13-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 447.53 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55642286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).