3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C17H26N2O4 — CID 82071028

IUPAC3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCCOc1cc(CCC(=O)N2CC(C)OC(C)C2)cc(N)c1O
InChIInChI=1S/C17H26N2O4/c1-4-22-15-8-13(7-14(18)17(15)21)5-6-16(20)19-9-11(2)23-12(3)10-19/h7-8,11-12,21H,4-6,9-10,18H2,1-3H3
InChIKeyNXLQWAMGVBQUAR-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.94
Rot. Bonds5

About 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 82071028) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID82071028
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCCOc1cc(CCC(=O)N2CC(C)OC(C)C2)cc(N)c1O
InChIInChI=1S/C17H26N2O4/c1-4-22-15-8-13(7-14(18)17(15)21)5-6-16(20)19-9-11(2)23-12(3)10-19/h7-8,11-12,21H,4-6,9-10,18H2,1-3H3
InChIKeyNXLQWAMGVBQUAR-UHFFFAOYSA-N
XLogP1.94
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 82071028) is 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CCOc1cc(CCC(=O)N2CC(C)OC(C)C2)cc(N)c1O.
What is the InChIKey of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is NXLQWAMGVBQUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-22-15-8-13(7-14(18)17(15)21)5-6-16(20)19-9-11(2)23-12(3)10-19/h7-8,11-12,21H,4-6,9-10,18H2,1-3H3.
What are the key properties of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 322.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 82071028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).