N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide

C25H30N2O2 — CID 53243914

IUPACN-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2-c2ccccc2C(=O)N1C1CCCCC1
InChIInChI=1S/C25H30N2O2/c1-25(2,3)26-23(28)22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)24(29)27(22)17-11-5-4-6-12-17/h7-10,13-17,22H,4-6,11-12H2,1-3H3,(H,26,28)
InChIKeyIDQKWQFVSCZINN-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.10
Rot. Bonds2

About N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide

N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide (PubChem CID 53243914) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
PubChem CID53243914
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2-c2ccccc2C(=O)N1C1CCCCC1
InChIInChI=1S/C25H30N2O2/c1-25(2,3)26-23(28)22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)24(29)27(22)17-11-5-4-6-12-17/h7-10,13-17,22H,4-6,11-12H2,1-3H3,(H,26,28)
InChIKeyIDQKWQFVSCZINN-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide?
The IUPAC name of N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide (CID 53243914) is N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide?
The canonical SMILES for N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide is CC(C)(C)NC(=O)C1c2ccccc2-c2ccccc2C(=O)N1C1CCCCC1.
What is the InChIKey of N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide?
The InChIKey is IDQKWQFVSCZINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-25(2,3)26-23(28)22-20-15-9-7-13-18(20)19-14-8-10-16-21(19)24(29)27(22)17-11-5-4-6-12-17/h7-10,13-17,22H,4-6,11-12H2,1-3H3,(H,26,28).
What are the key properties of N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide?
N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide is sourced from PubChem (CID 53243914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).