4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C18H28N2O2 — CID 58495277

IUPAC4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCCOCCN1CCOc2cc3c(c(CC)c21)CCNCC3
InChIInChI=1S/C18H28N2O2/c1-3-15-16-6-8-19-7-5-14(16)13-17-18(15)20(10-12-22-17)9-11-21-4-2/h13,19H,3-12H2,1-2H3
InChIKeyHFEKHEWXAZTMJM-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.17
Rot. Bonds5

About 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58495277) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58495277
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCCOCCN1CCOc2cc3c(c(CC)c21)CCNCC3
InChIInChI=1S/C18H28N2O2/c1-3-15-16-6-8-19-7-5-14(16)13-17-18(15)20(10-12-22-17)9-11-21-4-2/h13,19H,3-12H2,1-2H3
InChIKeyHFEKHEWXAZTMJM-UHFFFAOYSA-N
XLogP2.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58495277) is 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is CCOCCN1CCOc2cc3c(c(CC)c21)CCNCC3.
What is the InChIKey of 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is HFEKHEWXAZTMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-15-16-6-8-19-7-5-14(16)13-17-18(15)20(10-12-22-17)9-11-21-4-2/h13,19H,3-12H2,1-2H3.
What are the key properties of 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 304.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58495277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).