1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone

C26H25NO2 — CID 154834111

IUPAC1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN(C(=O)C1CC1c1ccc3ccccc3c1)CC2
InChIInChI=1S/C26H25NO2/c1-17(28)20-8-6-19-10-12-27(13-11-22(19)14-20)26(29)25-16-24(25)23-9-7-18-4-2-3-5-21(18)15-23/h2-9,14-15,24-25H,10-13,16H2,1H3
InChIKeyDWZDBHNAZAKYJT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.77
Rot. Bonds3

About 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone

1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone (PubChem CID 154834111) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone
PubChem CID154834111
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN(C(=O)C1CC1c1ccc3ccccc3c1)CC2
InChIInChI=1S/C26H25NO2/c1-17(28)20-8-6-19-10-12-27(13-11-22(19)14-20)26(29)25-16-24(25)23-9-7-18-4-2-3-5-21(18)15-23/h2-9,14-15,24-25H,10-13,16H2,1H3
InChIKeyDWZDBHNAZAKYJT-UHFFFAOYSA-N
XLogP4.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone?
The IUPAC name of 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone (CID 154834111) is 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone.
What is the SMILES notation for 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone?
The canonical SMILES for 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone is CC(=O)c1ccc2c(c1)CCN(C(=O)C1CC1c1ccc3ccccc3c1)CC2.
What is the InChIKey of 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone?
The InChIKey is DWZDBHNAZAKYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-17(28)20-8-6-19-10-12-27(13-11-22(19)14-20)26(29)25-16-24(25)23-9-7-18-4-2-3-5-21(18)15-23/h2-9,14-15,24-25H,10-13,16H2,1H3.
What are the key properties of 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone?
1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone has a molecular weight of 383.49 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone is sourced from PubChem (CID 154834111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).