2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one

C19H28N2O4 — CID 68739637

IUPAC2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one
SMILESCc1c(C(=O)C(C)(C)O)ccc(N2CCOCC2)c1N1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-14-15(18(22)19(2,3)23)4-5-16(20-6-10-24-11-7-20)17(14)21-8-12-25-13-9-21/h4-5,23H,6-13H2,1-3H3
InChIKeyUTBMJJLCDYBDQE-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.62
Rot. Bonds4

About 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one

2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one (PubChem CID 68739637) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one
PubChem CID68739637
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one
SMILESCc1c(C(=O)C(C)(C)O)ccc(N2CCOCC2)c1N1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-14-15(18(22)19(2,3)23)4-5-16(20-6-10-24-11-7-20)17(14)21-8-12-25-13-9-21/h4-5,23H,6-13H2,1-3H3
InChIKeyUTBMJJLCDYBDQE-UHFFFAOYSA-N
XLogP1.62
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-2-morpholin-4-ylbenzamide
CID 155069283
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
CID 23793828
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
CID 66513297
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044813
methyl 4-(3-hydroxy-2,3-dimethylbutan-2-yl)oxysulfanyl-2-morpholin-4-ylbenzoate
CID 170014065
methyl 3-methyl-4-morpholin-4-yl-2-nitrobenzoate
CID 151575136
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one (CID 68739637) is 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one is Cc1c(C(=O)C(C)(C)O)ccc(N2CCOCC2)c1N1CCOCC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one?
The InChIKey is UTBMJJLCDYBDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14-15(18(22)19(2,3)23)4-5-16(20-6-10-24-11-7-20)17(14)21-8-12-25-13-9-21/h4-5,23H,6-13H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one?
2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one has a molecular weight of 348.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(2-methyl-3,4-dimorpholin-4-ylphenyl)propan-1-one is sourced from PubChem (CID 68739637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).