4-(3-acetyl-4-aminophenyl)morpholin-3-one

C12H14N2O3 — CID 53417687

IUPAC4-(3-acetyl-4-aminophenyl)morpholin-3-one
SMILESCC(=O)c1cc(N2CCOCC2=O)ccc1N
InChIInChI=1S/C12H14N2O3/c1-8(15)10-6-9(2-3-11(10)13)14-4-5-17-7-12(14)16/h2-3,6H,4-5,7,13H2,1H3
InChIKeyGAEWWFDPAGHZQQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.83
Rot. Bonds2

About 4-(3-acetyl-4-aminophenyl)morpholin-3-one

4-(3-acetyl-4-aminophenyl)morpholin-3-one (PubChem CID 53417687) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(3-acetyl-4-aminophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-acetyl-4-aminophenyl)morpholin-3-one
PubChem CID53417687
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(3-acetyl-4-aminophenyl)morpholin-3-one
SMILESCC(=O)c1cc(N2CCOCC2=O)ccc1N
InChIInChI=1S/C12H14N2O3/c1-8(15)10-6-9(2-3-11(10)13)14-4-5-17-7-12(14)16/h2-3,6H,4-5,7,13H2,1H3
InChIKeyGAEWWFDPAGHZQQ-UHFFFAOYSA-N
XLogP0.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
4-(4-amino-3-ethynylphenyl)morpholin-3-one
CID 53417795
1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
CID 104613094
4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 113433026
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
CID 91756600
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
tert-butyl 5-(3-oxomorpholin-4-yl)-1,3-dihydroisoindole-2-carboxylate
CID 177238886
4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one
CID 156807251

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetyl-4-aminophenyl)morpholin-3-one?
The IUPAC name of 4-(3-acetyl-4-aminophenyl)morpholin-3-one (CID 53417687) is 4-(3-acetyl-4-aminophenyl)morpholin-3-one.
What is the SMILES notation for 4-(3-acetyl-4-aminophenyl)morpholin-3-one?
The canonical SMILES for 4-(3-acetyl-4-aminophenyl)morpholin-3-one is CC(=O)c1cc(N2CCOCC2=O)ccc1N.
What is the InChIKey of 4-(3-acetyl-4-aminophenyl)morpholin-3-one?
The InChIKey is GAEWWFDPAGHZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)10-6-9(2-3-11(10)13)14-4-5-17-7-12(14)16/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 4-(3-acetyl-4-aminophenyl)morpholin-3-one?
4-(3-acetyl-4-aminophenyl)morpholin-3-one has a molecular weight of 234.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetyl-4-aminophenyl)morpholin-3-one is sourced from PubChem (CID 53417687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).