3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one

C15H22N2O4 — CID 115603112

IUPAC3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(CNCCC(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C15H22N2O4/c1-20-13-3-2-12(14(18)10-13)11-16-5-4-15(19)17-6-8-21-9-7-17/h2-3,10,16,18H,4-9,11H2,1H3
InChIKeyUQBAOXUPLWSDHU-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.74
Rot. Bonds6

About 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one

3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115603112) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115603112
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(CNCCC(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C15H22N2O4/c1-20-13-3-2-12(14(18)10-13)11-16-5-4-15(19)17-6-8-21-9-7-17/h2-3,10,16,18H,4-9,11H2,1H3
InChIKeyUQBAOXUPLWSDHU-UHFFFAOYSA-N
XLogP0.74
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-5-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 28654881
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
3-[(2-bromo-5-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115751534
3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585099
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 115750353
3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115618229
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
3-[(3-chloro-4-methylphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106817088
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
5-methoxy-2-[(3-methylsulfonylpropylamino)methyl]phenol
CID 61262890

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115603112) is 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one is COc1ccc(CNCCC(=O)N2CCOCC2)c(O)c1.
What is the InChIKey of 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is UQBAOXUPLWSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-13-3-2-12(14(18)10-13)11-16-5-4-15(19)17-6-8-21-9-7-17/h2-3,10,16,18H,4-9,11H2,1H3.
What are the key properties of 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 294.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115603112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).