(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one

C18H24N2O5 — CID 94021989

IUPAC(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2C[C@@H](C(=O)N3CCOC[C@H]3C)CC2=O)c1
InChIInChI=1S/C18H24N2O5/c1-12-11-25-7-6-19(12)18(22)13-8-17(21)20(10-13)15-9-14(23-2)4-5-16(15)24-3/h4-5,9,12-13H,6-8,10-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyUSSXDLXXAIOUNB-OLZOCXBDSA-N
MW348.40 g/mol
LogP1.30
Rot. Bonds4

About (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one

(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 94021989) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID94021989
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(N2C[C@@H](C(=O)N3CCOC[C@H]3C)CC2=O)c1
InChIInChI=1S/C18H24N2O5/c1-12-11-25-7-6-19(12)18(22)13-8-17(21)20(10-13)15-9-14(23-2)4-5-16(15)24-3/h4-5,9,12-13H,6-8,10-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyUSSXDLXXAIOUNB-OLZOCXBDSA-N
XLogP1.30
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(2,5-dimethoxyphenyl)-4-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94020901
(4S)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351509
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
(4S)-1-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 9396068
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
4-[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113188456
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120572209
1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55642286
(4R)-1-(2,4-dimethoxyphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351549

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one (CID 94021989) is (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one is COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCOC[C@H]3C)CC2=O)c1.
What is the InChIKey of (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is USSXDLXXAIOUNB-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12-11-25-7-6-19(12)18(22)13-8-17(21)20(10-13)15-9-14(23-2)4-5-16(15)24-3/h4-5,9,12-13H,6-8,10-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 348.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94021989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).