3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide

C22H26N2O — CID 58940727

IUPAC3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c1
InChIInChI=1S/C22H26N2O/c1-23-22(25)20-5-2-4-17(15-20)18-9-8-16-10-12-24(21-6-3-7-21)13-11-19(16)14-18/h2,4-5,8-9,14-15,21H,3,6-7,10-13H2,1H3,(H,23,25)
InChIKeyZZNOCYUGWSBJCB-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.67
Rot. Bonds3

About 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide

3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide (PubChem CID 58940727) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
PubChem CID58940727
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c1
InChIInChI=1S/C22H26N2O/c1-23-22(25)20-5-2-4-17(15-20)18-9-8-16-10-12-24(21-6-3-7-21)13-11-19(16)14-18/h2,4-5,8-9,14-15,21H,3,6-7,10-13H2,1H3,(H,23,25)
InChIKeyZZNOCYUGWSBJCB-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide?
The IUPAC name of 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide (CID 58940727) is 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c1.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide?
The InChIKey is ZZNOCYUGWSBJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23-22(25)20-5-2-4-17(15-20)18-9-8-16-10-12-24(21-6-3-7-21)13-11-19(16)14-18/h2,4-5,8-9,14-15,21H,3,6-7,10-13H2,1H3,(H,23,25).
What are the key properties of 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide?
3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide has a molecular weight of 334.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide is sourced from PubChem (CID 58940727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).