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

C12H16N2O3 — CID 64957599

IUPAC3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(Cc2ccco2)C1=O
InChIInChI=1S/C12H16N2O3/c1-2-10-12(16)14(6-5-11(15)13-10)8-9-4-3-7-17-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,13,15)
InChIKeyULFPQKXHPMXBFP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.91
Rot. Bonds3

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

3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 64957599) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
PubChem CID64957599
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CCN(Cc2ccco2)C1=O
InChIInChI=1S/C12H16N2O3/c1-2-10-12(16)14(6-5-11(15)13-10)8-9-4-3-7-17-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,13,15)
InChIKeyULFPQKXHPMXBFP-UHFFFAOYSA-N
XLogP0.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4-difluorophenyl)methyl]-3-ethyl-1,4-diazepane-2,5-dione
CID 64882658
3-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 114957747
1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64973008
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 114185250
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CID 64881885
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752
3-ethyl-1-(3-ethylsulfonylpropyl)-1,4-diazepane-2,5-dione
CID 65096322
1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64968026
1-(furan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
CID 82383025
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione (CID 64957599) is 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione is CCC1NC(=O)CCN(Cc2ccco2)C1=O.
What is the InChIKey of 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is ULFPQKXHPMXBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-10-12(16)14(6-5-11(15)13-10)8-9-4-3-7-17-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,13,15).
What are the key properties of 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione?
3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64957599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).