1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one

C19H27N3O2 — CID 156648108

IUPAC1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCNC1CCc2ccc(N3CC4(CCOCC4)C3)cc2N(C)C1=O
InChIInChI=1S/C19H27N3O2/c1-20-16-6-4-14-3-5-15(11-17(14)21(2)18(16)23)22-12-19(13-22)7-9-24-10-8-19/h3,5,11,16,20H,4,6-10,12-13H2,1-2H3
InChIKeyIHFYZWBREOBTMZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.80
Rot. Bonds2

About 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one

1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 156648108) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID156648108
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCNC1CCc2ccc(N3CC4(CCOCC4)C3)cc2N(C)C1=O
InChIInChI=1S/C19H27N3O2/c1-20-16-6-4-14-3-5-15(11-17(14)21(2)18(16)23)22-12-19(13-22)7-9-24-10-8-19/h3,5,11,16,20H,4,6-10,12-13H2,1-2H3
InChIKeyIHFYZWBREOBTMZ-UHFFFAOYSA-N
XLogP1.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156843103
(3S)-3,5-dimethyl-7-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2,3-dihydro-1,5-benzoxazepin-4-one
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N-[(3S)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1-[(4-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 158676681
(3S)-5-methyl-7-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(tritylamino)-2,3-dihydro-1,5-benzoxazepin-4-one
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N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
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5-chloro-4-(3-fluoro-4-methylphenyl)-N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrimidine-2-carboxamide
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(2E)-2-[benzyl(methyl)hydrazinylidene]-N-[9-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl]but-3-enamide
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N-[(2S,3S)-2-benzyl-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
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3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
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(3R)-6-[4-(2-azaspiro[3.3]heptan-2-yl)anilino]-1,3-dimethyl-4-(oxan-4-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 118612447

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 156648108) is 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one is CNC1CCc2ccc(N3CC4(CCOCC4)C3)cc2N(C)C1=O.
What is the InChIKey of 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is IHFYZWBREOBTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-20-16-6-4-14-3-5-15(11-17(14)21(2)18(16)23)22-12-19(13-22)7-9-24-10-8-19/h3,5,11,16,20H,4,6-10,12-13H2,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 156648108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).