1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione

C12H14N2O3 — CID 64955856

IUPAC1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
SMILESCOc1ccc(N2CCC(=O)NCC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)14-7-6-11(15)13-8-12(14)16/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyIBZCGRKBUQBIBX-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.55
Rot. Bonds2

About 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione

1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione (PubChem CID 64955856) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
PubChem CID64955856
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
SMILESCOc1ccc(N2CCC(=O)NCC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)14-7-6-11(15)13-8-12(14)16/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyIBZCGRKBUQBIBX-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
1-(5-methoxy-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 114252939
1-(4-methoxyphenyl)-1,4-diazocan-2-one
CID 117016195
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-pyrimidin-5-yl-1,4-diazepane-2,5-dione
CID 107590246
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,4-diazepane-2,5-dione
CID 64966908
1-(4-methoxyphenyl)-1,4-diazocan-5-one
CID 117015473
1-(4-methoxyphenyl)imidazolidine-2-thione
CID 53443346
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959894

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione (CID 64955856) is 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione is COc1ccc(N2CCC(=O)NCC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione?
The InChIKey is IBZCGRKBUQBIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)14-7-6-11(15)13-8-12(14)16/h2-5H,6-8H2,1H3,(H,13,15).
What are the key properties of 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione?
1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64955856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).