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

C22H26N2O3 — CID 140896359

IUPAC4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC(=O)N2
InChIInChI=1S/C22H26N2O3/c1-22(2,3)16-10-8-14(9-11-16)21(26)24-18-12-15-6-5-7-20(25)23-17(15)13-19(18)27-4/h8-13H,5-7H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCSFRTMOJTJGLFC-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.52
Rot. Bonds3

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

4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide (PubChem CID 140896359) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
PubChem CID140896359
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC(=O)N2
InChIInChI=1S/C22H26N2O3/c1-22(2,3)16-10-8-14(9-11-16)21(26)24-18-12-15-6-5-7-20(25)23-17(15)13-19(18)27-4/h8-13H,5-7H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyCSFRTMOJTJGLFC-UHFFFAOYSA-N
XLogP4.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.52
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-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide (CID 140896359) is 4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC(=O)N2.
What is the InChIKey of 4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
The InChIKey is CSFRTMOJTJGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)16-10-8-14(9-11-16)21(26)24-18-12-15-6-5-7-20(25)23-17(15)13-19(18)27-4/h8-13H,5-7H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide?
4-tert-butyl-N-(8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.52, 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-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide is sourced from PubChem (CID 140896359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).