4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide

C23H30N2O2 — CID 140896294

IUPAC4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCCN2C
InChIInChI=1S/C23H30N2O2/c1-23(2,3)18-11-9-16(10-12-18)22(26)24-19-14-17-8-6-7-13-25(4)20(17)15-21(19)27-5/h9-12,14-15H,6-8,13H2,1-5H3,(H,24,26)
InChIKeyZGBYRQXAZVVSHQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.02
Rot. Bonds3

About 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide

4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide (PubChem CID 140896294) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
PubChem CID140896294
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCCN2C
InChIInChI=1S/C23H30N2O2/c1-23(2,3)18-11-9-16(10-12-18)22(26)24-19-14-17-8-6-7-13-25(4)20(17)15-21(19)27-5/h9-12,14-15H,6-8,13H2,1-5H3,(H,24,26)
InChIKeyZGBYRQXAZVVSHQ-UHFFFAOYSA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide (CID 140896294) is 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCCN2C.
What is the InChIKey of 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
The InChIKey is ZGBYRQXAZVVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)18-11-9-16(10-12-18)22(26)24-19-14-17-8-6-7-13-25(4)20(17)15-21(19)27-5/h9-12,14-15H,6-8,13H2,1-5H3,(H,24,26).
What are the key properties of 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide has a molecular weight of 366.51 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(8-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide is sourced from PubChem (CID 140896294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).