7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C18H25NO2 — CID 82983985

IUPAC7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCCC(CCC)C(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C18H25NO2/c1-3-6-13(7-4-2)18(21)15-10-11-16-14(12-15)8-5-9-17(20)19-16/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyBORDHZIWUUJJLW-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.36
Rot. Bonds6

About 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 82983985) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID82983985
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCCC(CCC)C(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C18H25NO2/c1-3-6-13(7-4-2)18(21)15-10-11-16-14(12-15)8-5-9-17(20)19-16/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyBORDHZIWUUJJLW-UHFFFAOYSA-N
XLogP4.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
7-(2,2-dimethylbutanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62677640
7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
N-(3-hydroxypropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797707
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712434
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
CID 125181304

Frequently Asked Questions

What is the IUPAC name of 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 82983985) is 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is CCCC(CCC)C(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is BORDHZIWUUJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-6-13(7-4-2)18(21)15-10-11-16-14(12-15)8-5-9-17(20)19-16/h10-13H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 287.40 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 82983985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).