8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide

C23H28N2O2 — CID 69260218

IUPAC8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCC1
InChIInChI=1S/C23H28N2O2/c1-25(20-5-3-2-4-6-20)15-16-7-11-21-17(13-16)8-9-18-14-19(23(24)26)10-12-22(18)27-21/h7,10-14,20H,2-6,8-9,15H2,1H3,(H2,24,26)
InChIKeyWYWVAHGEESIDDF-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.44
Rot. Bonds4

About 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide

8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide (PubChem CID 69260218) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide.

Molecular Properties

Compound Name8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
PubChem CID69260218
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCC1
InChIInChI=1S/C23H28N2O2/c1-25(20-5-3-2-4-6-20)15-16-7-11-21-17(13-16)8-9-18-14-19(23(24)26)10-12-22(18)27-21/h7,10-14,20H,2-6,8-9,15H2,1H3,(H2,24,26)
InChIKeyWYWVAHGEESIDDF-UHFFFAOYSA-N
XLogP4.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
The IUPAC name of 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide (CID 69260218) is 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide.
What is the SMILES notation for 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
The canonical SMILES for 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide is CN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCC1.
What is the InChIKey of 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
The InChIKey is WYWVAHGEESIDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-25(20-5-3-2-4-6-20)15-16-7-11-21-17(13-16)8-9-18-14-19(23(24)26)10-12-22(18)27-21/h7,10-14,20H,2-6,8-9,15H2,1H3,(H2,24,26).
What are the key properties of 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[cyclohexyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide is sourced from PubChem (CID 69260218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).