(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide

C18H25N3O4 — CID 7215119

IUPAC(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1cccc(N2C[C@H](NC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-12-9-20(10-13(2)25-12)18(23)19-14-7-17(22)21(11-14)15-5-4-6-16(8-15)24-3/h4-6,8,12-14H,7,9-11H2,1-3H3,(H,19,23)/t12-,13+,14-/m1/s1
InChIKeyYRLFJJGXRLIRBJ-HZSPNIEDSA-N
MW347.42 g/mol
LogP1.62
Rot. Bonds3

About (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide

(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 7215119) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID7215119
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1cccc(N2C[C@H](NC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-12-9-20(10-13(2)25-12)18(23)19-14-7-17(22)21(11-14)15-5-4-6-16(8-15)24-3/h4-6,8,12-14H,7,9-11H2,1-3H3,(H,19,23)/t12-,13+,14-/m1/s1
InChIKeyYRLFJJGXRLIRBJ-HZSPNIEDSA-N
XLogP1.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide with MolForge

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Related Compounds

4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
4-hydroxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 18564205
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544007
ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005
(2R,6R)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7548675
4-(2-fluorophenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162495
4-(4-acetylphenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 41106577
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide (CID 7215119) is (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide is COc1cccc(N2C[C@H](NC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1.
What is the InChIKey of (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is YRLFJJGXRLIRBJ-HZSPNIEDSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-9-20(10-13(2)25-12)18(23)19-14-7-17(22)21(11-14)15-5-4-6-16(8-15)24-3/h4-6,8,12-14H,7,9-11H2,1-3H3,(H,19,23)/t12-,13+,14-/m1/s1.
What are the key properties of (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide?
(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 7215119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).