[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone

C20H27N3O2 — CID 125141625

IUPAC[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCc1ccc(C)c([C@H]2CN(C(=O)c3cn(C(C)C)cn3)[C@@H](C)CO2)c1
InChIInChI=1S/C20H27N3O2/c1-13(2)22-9-18(21-12-22)20(24)23-10-19(25-11-16(23)5)17-8-14(3)6-7-15(17)4/h6-9,12-13,16,19H,10-11H2,1-5H3/t16-,19+/m0/s1
InChIKeyJGTXPRLVJPOKLT-QFBILLFUSA-N
MW341.46 g/mol
LogP3.68
Rot. Bonds3

About [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone

[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone (PubChem CID 125141625) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID125141625
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCc1ccc(C)c([C@H]2CN(C(=O)c3cn(C(C)C)cn3)[C@@H](C)CO2)c1
InChIInChI=1S/C20H27N3O2/c1-13(2)22-9-18(21-12-22)20(24)23-10-19(25-11-16(23)5)17-8-14(3)6-7-15(17)4/h6-9,12-13,16,19H,10-11H2,1-5H3/t16-,19+/m0/s1
InChIKeyJGTXPRLVJPOKLT-QFBILLFUSA-N
XLogP3.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 125141624
(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
CID 119336365
[(2S,5R)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607190
5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide
CID 100640005
2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
CID 119806064
1-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 124685919
1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119806076
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(3-methylphenyl)methanone
CID 110369456
(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
CID 97007562
3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 99106789
3-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120981988
(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine
CID 99640572

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 125141625) is [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone is Cc1ccc(C)c([C@H]2CN(C(=O)c3cn(C(C)C)cn3)[C@@H](C)CO2)c1.
What is the InChIKey of [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is JGTXPRLVJPOKLT-QFBILLFUSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)22-9-18(21-12-22)20(24)23-10-19(25-11-16(23)5)17-8-14(3)6-7-15(17)4/h6-9,12-13,16,19H,10-11H2,1-5H3/t16-,19+/m0/s1.
What are the key properties of [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 125141625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).