2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

C15H22N2O4 — CID 82345601

IUPAC2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCCOCCOC(=O)CN1CC(C)Oc2cccc(N)c21
InChIInChI=1S/C15H22N2O4/c1-3-19-7-8-20-14(18)10-17-9-11(2)21-13-6-4-5-12(16)15(13)17/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyPQZXBTMHUHGELX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.44
Rot. Bonds6

About 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (PubChem CID 82345601) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
PubChem CID82345601
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCCOCCOC(=O)CN1CC(C)Oc2cccc(N)c21
InChIInChI=1S/C15H22N2O4/c1-3-19-7-8-20-14(18)10-17-9-11(2)21-13-6-4-5-12(16)15(13)17/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyPQZXBTMHUHGELX-UHFFFAOYSA-N
XLogP1.44
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (CID 82345601) is 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is CCOCCOC(=O)CN1CC(C)Oc2cccc(N)c21.
What is the InChIKey of 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The InChIKey is PQZXBTMHUHGELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-19-7-8-20-14(18)10-17-9-11(2)21-13-6-4-5-12(16)15(13)17/h4-6,11H,3,7-10,16H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate has a molecular weight of 294.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 82345601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).