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

C22H26N2O2 — CID 68504537

IUPAC4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cc1
InChIInChI=1S/C22H26N2O2/c1-23-22(25)17-6-8-20(9-7-17)26-21-10-5-16-11-13-24(19-3-2-4-19)14-12-18(16)15-21/h5-10,15,19H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyVPBNCIYYRAHDEJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.79
Rot. Bonds4

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

4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide (PubChem CID 68504537) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide
PubChem CID68504537
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cc1
InChIInChI=1S/C22H26N2O2/c1-23-22(25)17-6-8-20(9-7-17)26-21-10-5-16-11-13-24(19-3-2-4-19)14-12-18(16)15-21/h5-10,15,19H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyVPBNCIYYRAHDEJ-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide?
The IUPAC name of 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide (CID 68504537) is 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide.
What is the SMILES notation for 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide?
The canonical SMILES for 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide is CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cc1.
What is the InChIKey of 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide?
The InChIKey is VPBNCIYYRAHDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-23-22(25)17-6-8-20(9-7-17)26-21-10-5-16-11-13-24(19-3-2-4-19)14-12-18(16)15-21/h5-10,15,19H,2-4,11-14H2,1H3,(H,23,25).
What are the key properties of 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide?
4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide is sourced from PubChem (CID 68504537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).