N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C20H27N3O4 — CID 113182780

IUPACN-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CC(=O)N(CC2CCCO2)C1
InChIInChI=1S/C20H27N3O4/c24-19-12-15(13-23(19)14-16-4-3-9-27-16)20(25)21-17-5-1-2-6-18(17)22-7-10-26-11-8-22/h1-2,5-6,15-16H,3-4,7-14H2,(H,21,25)
InChIKeyNOBWUIRRTSJQTB-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.49
Rot. Bonds5

About N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113182780) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113182780
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CC(=O)N(CC2CCCO2)C1
InChIInChI=1S/C20H27N3O4/c24-19-12-15(13-23(19)14-16-4-3-9-27-16)20(25)21-17-5-1-2-6-18(17)22-7-10-26-11-8-22/h1-2,5-6,15-16H,3-4,7-14H2,(H,21,25)
InChIKeyNOBWUIRRTSJQTB-UHFFFAOYSA-N
XLogP1.49
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273
N-(2-morpholin-4-ylethyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182640
N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182761
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335
N-(1,3-benzodioxol-5-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182791
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113182780) is N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)C1CC(=O)N(CC2CCCO2)C1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NOBWUIRRTSJQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-19-12-15(13-23(19)14-16-4-3-9-27-16)20(25)21-17-5-1-2-6-18(17)22-7-10-26-11-8-22/h1-2,5-6,15-16H,3-4,7-14H2,(H,21,25).
What are the key properties of N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113182780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).