3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione

C12H20N2O3 — CID 64882056

IUPAC3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCOCCN1CCC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-12(9-3-4-9)11(16)14(7-8-17-2)6-5-10(15)13-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyTUHHBQWUFDGVEC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds4

About 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione

3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 64882056) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione
PubChem CID64882056
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCOCCN1CCC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-12(9-3-4-9)11(16)14(7-8-17-2)6-5-10(15)13-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyTUHHBQWUFDGVEC-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
3-cyclopropyl-3-methyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64962404
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883027
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459136
3-cyclopropyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 106383741
3-cyclopropyl-3-methyl-1-(thian-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80612068
3-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 81041950
3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64883611
3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
CID 113480612
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64882784
3-cyclopropyl-1-(1-ethoxypropan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64967374

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione (CID 64882056) is 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione is COCCN1CCC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is TUHHBQWUFDGVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(9-3-4-9)11(16)14(7-8-17-2)6-5-10(15)13-12/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).