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

C17H23N3O4 — CID 120930289

IUPAC(2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)[C@H]3NCCO[C@@H]3C)CC2=O)c1
InChIInChI=1S/C17H23N3O4/c1-11-16(18-6-7-24-11)17(22)19-12-8-15(21)20(10-12)13-4-3-5-14(9-13)23-2/h3-5,9,11-12,16,18H,6-8,10H2,1-2H3,(H,19,22)/t11-,12?,16+/m1/s1
InChIKeyNDINRELWOCFTAP-LEQPHNNESA-N
MW333.39 g/mol
LogP0.29
Rot. Bonds4

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

(2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide (PubChem CID 120930289) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide
PubChem CID120930289
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide
SMILESCOc1cccc(N2CC(NC(=O)[C@H]3NCCO[C@@H]3C)CC2=O)c1
InChIInChI=1S/C17H23N3O4/c1-11-16(18-6-7-24-11)17(22)19-12-8-15(21)20(10-12)13-4-3-5-14(9-13)23-2/h3-5,9,11-12,16,18H,6-8,10H2,1-2H3,(H,19,22)/t11-,12?,16+/m1/s1
InChIKeyNDINRELWOCFTAP-LEQPHNNESA-N
XLogP0.29
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7215119
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 7543850
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
1-(4-fluorophenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544338
(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120930374

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide (CID 120930289) is (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide is COc1cccc(N2CC(NC(=O)[C@H]3NCCO[C@@H]3C)CC2=O)c1.
What is the InChIKey of (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide?
The InChIKey is NDINRELWOCFTAP-LEQPHNNESA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11-16(18-6-7-24-11)17(22)19-12-8-15(21)20(10-12)13-4-3-5-14(9-13)23-2/h3-5,9,11-12,16,18H,6-8,10H2,1-2H3,(H,19,22)/t11-,12?,16+/m1/s1.
What are the key properties of (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120930289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).