1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone

C23H31NO3 — CID 110369629

IUPAC1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)CO2)cc1
InChIInChI=1S/C23H31NO3/c1-15-14-27-21(19-3-5-20(26-2)6-4-19)13-24(15)22(25)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,15-18,21H,7-14H2,1-2H3
InChIKeyAMYKJYDWAZBDIF-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.20
Rot. Bonds3

About 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone

1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 110369629) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
PubChem CID110369629
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)CO2)cc1
InChIInChI=1S/C23H31NO3/c1-15-14-27-21(19-3-5-20(26-2)6-4-19)13-24(15)22(25)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,15-18,21H,7-14H2,1-2H3
InChIKeyAMYKJYDWAZBDIF-UHFFFAOYSA-N
XLogP4.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 110369570
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51856452
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369613
4-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644969
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
CID 110369636
1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4205495
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
(4-fluorophenyl)-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369460
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55943713
methyl 4-[5-methyl-4-[(3E)-1,1,4-triamino-4-chlorobuta-1,3-dien-2-yl]morpholin-2-yl]benzoate
CID 176563138

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone (CID 110369629) is 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone is COc1ccc(C2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)CO2)cc1.
What is the InChIKey of 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is AMYKJYDWAZBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-15-14-27-21(19-3-5-20(26-2)6-4-19)13-24(15)22(25)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,15-18,21H,7-14H2,1-2H3.
What are the key properties of 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone?
1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 110369629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).