methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate

C19H20N2O3 — CID 51039494

IUPACmethyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)CN(Cc1ccccc1)CC2=O
InChIInChI=1S/C19H20N2O3/c1-20-13-21(11-14-6-4-3-5-7-14)12-18(22)16-9-8-15(10-17(16)20)19(23)24-2/h3-10H,11-13H2,1-2H3
InChIKeyHFVVVGSSXBONQT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.57
Rot. Bonds3

About methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate

methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate (PubChem CID 51039494) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate
PubChem CID51039494
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)CN(Cc1ccccc1)CC2=O
InChIInChI=1S/C19H20N2O3/c1-20-13-21(11-14-6-4-3-5-7-14)12-18(22)16-9-8-15(10-17(16)20)19(23)24-2/h3-10H,11-13H2,1-2H3
InChIKeyHFVVVGSSXBONQT-UHFFFAOYSA-N
XLogP2.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate?
The IUPAC name of methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate (CID 51039494) is methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate.
What is the SMILES notation for methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate?
The canonical SMILES for methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate is COC(=O)c1ccc2c(c1)N(C)CN(Cc1ccccc1)CC2=O.
What is the InChIKey of methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate?
The InChIKey is HFVVVGSSXBONQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-13-21(11-14-6-4-3-5-7-14)12-18(22)16-9-8-15(10-17(16)20)19(23)24-2/h3-10H,11-13H2,1-2H3.
What are the key properties of methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate?
methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-1-methyl-5-oxo-2,4-dihydro-1,3-benzodiazepine-8-carboxylate is sourced from PubChem (CID 51039494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).