2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one

C21H24N2O3 — CID 19879386

IUPAC2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCN1c2ccccc2Oc2ccc(C(=O)C(C)(C)N3CCOCC3)cc21
InChIInChI=1S/C21H24N2O3/c1-21(2,23-10-12-25-13-11-23)20(24)15-8-9-19-17(14-15)22(3)16-6-4-5-7-18(16)26-19/h4-9,14H,10-13H2,1-3H3
InChIKeySLDJJLFVDZCYGL-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.85
Rot. Bonds3

About 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one

2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 19879386) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID19879386
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCN1c2ccccc2Oc2ccc(C(=O)C(C)(C)N3CCOCC3)cc21
InChIInChI=1S/C21H24N2O3/c1-21(2,23-10-12-25-13-11-23)20(24)15-8-9-19-17(14-15)22(3)16-6-4-5-7-18(16)26-19/h4-9,14H,10-13H2,1-3H3
InChIKeySLDJJLFVDZCYGL-UHFFFAOYSA-N
XLogP3.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one (CID 19879386) is 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one is CN1c2ccccc2Oc2ccc(C(=O)C(C)(C)N3CCOCC3)cc21.
What is the InChIKey of 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is SLDJJLFVDZCYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2,23-10-12-25-13-11-23)20(24)15-8-9-19-17(14-15)22(3)16-6-4-5-7-18(16)26-19/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one?
2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 352.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19879386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).