2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone

C13H18N2O4 — CID 5305750

IUPAC2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone
SMILESCOc1cc(N)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O4/c1-17-12-8-10(14)2-3-11(12)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyQNOFNIROANASJX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone

2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone (PubChem CID 5305750) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone
PubChem CID5305750
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone
SMILESCOc1cc(N)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O4/c1-17-12-8-10(14)2-3-11(12)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9,14H2,1H3
InChIKeyQNOFNIROANASJX-UHFFFAOYSA-N
XLogP0.51
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone (CID 5305750) is 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone is COc1cc(N)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is QNOFNIROANASJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-12-8-10(14)2-3-11(12)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 266.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 5305750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).