1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C17H16N2O3 — CID 3345025

IUPAC1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)c3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-13-8-6-12(7-9-13)11-19-15-5-3-2-4-14(15)17(21)18-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyQRZQNJZWXRBEOV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.97
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 3345025) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID3345025
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)c3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-13-8-6-12(7-9-13)11-19-15-5-3-2-4-14(15)17(21)18-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyQRZQNJZWXRBEOV-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 3345025) is 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is COc1ccc(CN2C(=O)CNC(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is QRZQNJZWXRBEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-13-8-6-12(7-9-13)11-19-15-5-3-2-4-14(15)17(21)18-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 296.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 3345025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).