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

C24H30N2O2 — CID 69259456

IUPAC8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCCC1
InChIInChI=1S/C24H30N2O2/c1-26(21-6-4-2-3-5-7-21)16-17-8-12-22-18(14-17)9-10-19-15-20(24(25)27)11-13-23(19)28-22/h8,11-15,21H,2-7,9-10,16H2,1H3,(H2,25,27)
InChIKeyFMOVPYRBPLGYRQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.83
Rot. Bonds4

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

8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide (PubChem CID 69259456) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide.

Molecular Properties

Compound Name8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
PubChem CID69259456
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCCC1
InChIInChI=1S/C24H30N2O2/c1-26(21-6-4-2-3-5-7-21)16-17-8-12-22-18(14-17)9-10-19-15-20(24(25)27)11-13-23(19)28-22/h8,11-15,21H,2-7,9-10,16H2,1H3,(H2,25,27)
InChIKeyFMOVPYRBPLGYRQ-UHFFFAOYSA-N
XLogP4.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
The IUPAC name of 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide (CID 69259456) is 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide.
What is the SMILES notation for 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
The canonical SMILES for 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide is CN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCCC1.
What is the InChIKey of 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
The InChIKey is FMOVPYRBPLGYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-26(21-6-4-2-3-5-7-21)16-17-8-12-22-18(14-17)9-10-19-15-20(24(25)27)11-13-23(19)28-22/h8,11-15,21H,2-7,9-10,16H2,1H3,(H2,25,27).
What are the key properties of 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide?
8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[cycloheptyl(methyl)amino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide is sourced from PubChem (CID 69259456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).