4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C17H16N2O3 — CID 70496713

IUPAC4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C17H16N2O3/c1-19-10-16(20)18-15-8-7-13(9-14(15)17(19)21)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyCNCPPPBXSLSGAJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 70496713) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID70496713
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C17H16N2O3/c1-19-10-16(20)18-15-8-7-13(9-14(15)17(19)21)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyCNCPPPBXSLSGAJ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 10245205
1-methyl-5-phenylmethoxy-2H-indol-3-one
CID 155591084
(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121271858
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
CID 91072000
(5S)-3-methyl-5-(6-phenylmethoxy-3H-inden-1-yl)-1,3-diazinane-2,4-dione
CID 155619112
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
(4Z)-4-(methoxymethylidene)-6-phenylmethoxyisoquinoline-1,3-dione
CID 93211212
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 166452154

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 70496713) is 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1CC(=O)Nc2ccc(OCc3ccccc3)cc2C1=O.
What is the InChIKey of 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is CNCPPPBXSLSGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-10-16(20)18-15-8-7-13(9-14(15)17(19)21)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 296.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 70496713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).