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

C18H18N2O4 — CID 3282435

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)c3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-8-7-12(9-16(15)24-2)11-20-14-6-4-3-5-13(14)18(22)19-10-17(20)21/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyJYBFYHPCKDKQEI-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.98
Rot. Bonds4

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

1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 3282435) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID3282435
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)c3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-8-7-12(9-16(15)24-2)11-20-14-6-4-3-5-13(14)18(22)19-10-17(20)21/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyJYBFYHPCKDKQEI-UHFFFAOYSA-N
XLogP1.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909849
7-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183642
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 136520306
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910104
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910370
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 18145563
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl)acetamide
CID 71963603
1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183089
(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 10090308

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 3282435) is 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is COc1ccc(CN2C(=O)CNC(=O)c3ccccc32)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is JYBFYHPCKDKQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-8-7-12(9-16(15)24-2)11-20-14-6-4-3-5-13(14)18(22)19-10-17(20)21/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 326.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 3282435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).