N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide

C18H19N3O4 — CID 71827593

IUPACN-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21
InChIInChI=1S/C18H19N3O4/c1-24-11-5-10-19-16(22)12-21-14-7-4-9-20-17(14)25-15-8-3-2-6-13(15)18(21)23/h2-4,6-9H,5,10-12H2,1H3,(H,19,22)
InChIKeyHRBXDXDKWJHGSA-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.99
Rot. Bonds6

About N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide

N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide (PubChem CID 71827593) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
PubChem CID71827593
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21
InChIInChI=1S/C18H19N3O4/c1-24-11-5-10-19-16(22)12-21-14-7-4-9-20-17(14)25-15-8-3-2-6-13(15)18(21)23/h2-4,6-9H,5,10-12H2,1H3,(H,19,22)
InChIKeyHRBXDXDKWJHGSA-UHFFFAOYSA-N
XLogP1.99
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide (CID 71827593) is N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide is COCCCNC(=O)CN1C(=O)c2ccccc2Oc2ncccc21.
What is the InChIKey of N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
The InChIKey is HRBXDXDKWJHGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-11-5-10-19-16(22)12-21-14-7-4-9-20-17(14)25-15-8-3-2-6-13(15)18(21)23/h2-4,6-9H,5,10-12H2,1H3,(H,19,22).
What are the key properties of N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide?
N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide is sourced from PubChem (CID 71827593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).