3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine

C20H24N2O — CID 14978297

IUPAC3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine
SMILESCCC1=NC(COC)(c2ccccc2)c2ccccc2CN1C
InChIInChI=1S/C20H24N2O/c1-4-19-21-20(15-23-3,17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-22(19)2/h5-13H,4,14-15H2,1-3H3
InChIKeyYFXATLWCEBGSSP-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.83
Rot. Bonds4

About 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine

3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine (PubChem CID 14978297) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine.

Molecular Properties

Compound Name3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine
PubChem CID14978297
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine
SMILESCCC1=NC(COC)(c2ccccc2)c2ccccc2CN1C
InChIInChI=1S/C20H24N2O/c1-4-19-21-20(15-23-3,17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-22(19)2/h5-13H,4,14-15H2,1-3H3
InChIKeyYFXATLWCEBGSSP-UHFFFAOYSA-N
XLogP3.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
The IUPAC name of 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine (CID 14978297) is 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine.
What is the SMILES notation for 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
The canonical SMILES for 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine is CCC1=NC(COC)(c2ccccc2)c2ccccc2CN1C.
What is the InChIKey of 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
The InChIKey is YFXATLWCEBGSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-19-21-20(15-23-3,17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-22(19)2/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine?
3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine has a molecular weight of 308.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(methoxymethyl)-2-methyl-5-phenyl-1H-2,4-benzodiazepine is sourced from PubChem (CID 14978297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).