(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one

C21H29N3O3 — CID 142266231

IUPAC(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one
SMILESCCCn1cnc(C(C)C2O[C@H](C)CN(Cc3ccc(OC)cc3)C2=O)c1
InChIInChI=1S/C21H29N3O3/c1-5-10-23-13-19(22-14-23)16(3)20-21(25)24(11-15(2)27-20)12-17-6-8-18(26-4)9-7-17/h6-9,13-16,20H,5,10-12H2,1-4H3/t15-,16?,20?/m1/s1
InChIKeyXEKKSCGUVXHKQY-LSWWBPAMSA-N
MW371.48 g/mol
LogP3.22
Rot. Bonds7

About (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one

(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one (PubChem CID 142266231) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one
PubChem CID142266231
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one
SMILESCCCn1cnc(C(C)C2O[C@H](C)CN(Cc3ccc(OC)cc3)C2=O)c1
InChIInChI=1S/C21H29N3O3/c1-5-10-23-13-19(22-14-23)16(3)20-21(25)24(11-15(2)27-20)12-17-6-8-18(26-4)9-7-17/h6-9,13-16,20H,5,10-12H2,1-4H3/t15-,16?,20?/m1/s1
InChIKeyXEKKSCGUVXHKQY-LSWWBPAMSA-N
XLogP3.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate
CID 118496322
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 59106720
(1S,2R,6R,7R,8R,11S)-4-[(4-methoxyphenyl)methyl]-12-oxa-4-azatetracyclo[5.4.1.02,6.08,11]dodecan-3-one
CID 102434288
4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole
CID 46185798
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
(3S)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165419609
6-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115009677
3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 87324494
12-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[(4-methoxyphenyl)methyl]-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;methane
CID 161128565
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
(1R,2S,6S,7R)-4-[(4-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98094774

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one?
The IUPAC name of (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one (CID 142266231) is (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one.
What is the SMILES notation for (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one?
The canonical SMILES for (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one is CCCn1cnc(C(C)C2O[C@H](C)CN(Cc3ccc(OC)cc3)C2=O)c1.
What is the InChIKey of (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one?
The InChIKey is XEKKSCGUVXHKQY-LSWWBPAMSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-10-23-13-19(22-14-23)16(3)20-21(25)24(11-15(2)27-20)12-17-6-8-18(26-4)9-7-17/h6-9,13-16,20H,5,10-12H2,1-4H3/t15-,16?,20?/m1/s1.
What are the key properties of (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one?
(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one has a molecular weight of 371.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one is sourced from PubChem (CID 142266231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).