7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

C15H22N2O2 — CID 104525925

IUPAC7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCCCC(NCC)c1ccc2c(c1)C(=O)NCCO2
InChIInChI=1S/C15H22N2O2/c1-3-5-13(16-4-2)11-6-7-14-12(10-11)15(18)17-8-9-19-14/h6-7,10,13,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyKFOLINCLQBEGMA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.26
Rot. Bonds5

About 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one (PubChem CID 104525925) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
PubChem CID104525925
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCCCC(NCC)c1ccc2c(c1)C(=O)NCCO2
InChIInChI=1S/C15H22N2O2/c1-3-5-13(16-4-2)11-6-7-14-12(10-11)15(18)17-8-9-19-14/h6-7,10,13,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyKFOLINCLQBEGMA-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[1-(methylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525878
7-[2,2-dimethyl-1-(propylamino)propyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525951
7-[ethylamino(furan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525912
7-[3,3,3-trifluoro-1-(methylamino)propyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525875
7-(1-bromooctyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526666
7-(1-bromo-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526654
7-(1-amino-3-methylpentyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 114874608
7-[amino-(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525766
7-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526274
2-[2-amino-2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)ethoxy]acetamide
CID 104526058
7-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525902
7-(1-bromo-2,2,2-trifluoroethyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526692

Frequently Asked Questions

What is the IUPAC name of 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The IUPAC name of 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CID 104525925) is 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
What is the SMILES notation for 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The canonical SMILES for 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one is CCCC(NCC)c1ccc2c(c1)C(=O)NCCO2.
What is the InChIKey of 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The InChIKey is KFOLINCLQBEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-5-13(16-4-2)11-6-7-14-12(10-11)15(18)17-8-9-19-14/h6-7,10,13,16H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one has a molecular weight of 262.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(ethylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 104525925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).