1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione

C15H20N2O4 — CID 64956840

IUPAC1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(c2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C15H20N2O4/c1-4-13-15(19)17(6-5-14(18)16-13)10-7-11(20-2)9-12(8-10)21-3/h7-9,13H,4-6H2,1-3H3,(H,16,18)
InChIKeyCYBNZUOUKTVNQP-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.34
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione

1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione (PubChem CID 64956840) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione
PubChem CID64956840
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(c2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C15H20N2O4/c1-4-13-15(19)17(6-5-14(18)16-13)10-7-11(20-2)9-12(8-10)21-3/h7-9,13H,4-6H2,1-3H3,(H,16,18)
InChIKeyCYBNZUOUKTVNQP-UHFFFAOYSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 114840984
1-(3-chloro-5-fluorophenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 107370895
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
3-ethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959856
1-(1-benzothiophen-5-yl)-3-ethyl-1,4-diazepane-2,5-dione
CID 65450506
3-ethyl-1-quinolin-6-yl-1,4-diazepane-2,5-dione
CID 64969768
3-ethyl-1-(2,4,5-trichlorophenyl)-1,4-diazepane-2,5-dione
CID 64961977
1-(4-bromo-2-methylphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64962609
(3S)-3-ethyl-1-(4-methoxyphenyl)piperazin-2-one
CID 141490580
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
1-(2-chloro-4,6-difluorophenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 83082896
1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82860332

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione (CID 64956840) is 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(c2cc(OC)cc(OC)c2)C1=O.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione?
The InChIKey is CYBNZUOUKTVNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-13-15(19)17(6-5-14(18)16-13)10-7-11(20-2)9-12(8-10)21-3/h7-9,13H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione?
1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione has a molecular weight of 292.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64956840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).