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

C22H28N2O2 — CID 140896302

IUPAC4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCCN2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-10-8-15(9-11-17)21(25)24-19-13-16-7-5-6-12-23-18(16)14-20(19)26-4/h8-11,13-14,23H,5-7,12H2,1-4H3,(H,24,25)
InChIKeyILIKJDRJPMJBCM-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.99
Rot. Bonds3

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

4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide (PubChem CID 140896302) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
PubChem CID140896302
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCCN2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-10-8-15(9-11-17)21(25)24-19-13-16-7-5-6-12-23-18(16)14-20(19)26-4/h8-11,13-14,23H,5-7,12H2,1-4H3,(H,24,25)
InChIKeyILIKJDRJPMJBCM-UHFFFAOYSA-N
XLogP4.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide (CID 140896302) is 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCCN2.
What is the InChIKey of 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The InChIKey is ILIKJDRJPMJBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,3)17-10-8-15(9-11-17)21(25)24-19-13-16-7-5-6-12-23-18(16)14-20(19)26-4/h8-11,13-14,23H,5-7,12H2,1-4H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide is sourced from PubChem (CID 140896302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).