3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H22N2O2 — CID 103313115

IUPAC3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCOCCCNC1CCc2ccccc2NC1=O
InChIInChI=1S/C15H22N2O2/c1-2-19-11-5-10-16-14-9-8-12-6-3-4-7-13(12)17-15(14)18/h3-4,6-7,14,16H,2,5,8-11H2,1H3,(H,17,18)
InChIKeyFLESOEYOMGEPEG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.96
Rot. Bonds6

About 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313115) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313115
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCOCCCNC1CCc2ccccc2NC1=O
InChIInChI=1S/C15H22N2O2/c1-2-19-11-5-10-16-14-9-8-12-6-3-4-7-13(12)17-15(14)18/h3-4,6-7,14,16H,2,5,8-11H2,1H3,(H,17,18)
InChIKeyFLESOEYOMGEPEG-UHFFFAOYSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313208
3-[2-(2-methylpropoxy)ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313556
3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107317427
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
3-(hex-5-ynylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106211618
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313304
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
3-(2-methylprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313566
3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313099
4-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196207
3-[(4-fluorophenyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313096
3-(2-chloroprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313500

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313115) is 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is CCOCCCNC1CCc2ccccc2NC1=O.
What is the InChIKey of 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is FLESOEYOMGEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-11-5-10-16-14-9-8-12-6-3-4-7-13(12)17-15(14)18/h3-4,6-7,14,16H,2,5,8-11H2,1H3,(H,17,18).
What are the key properties of 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).