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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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).