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

C14H24N2O3 — CID 64972797

IUPAC3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCCC(COC)N1CCC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-11(9-19-3)16-8-7-12(17)15-14(2,13(16)18)10-5-6-10/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyQBGXKQIBOGOFHS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds5

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

3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 64972797) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
PubChem CID64972797
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
SMILESCCC(COC)N1CCC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-11(9-19-3)16-8-7-12(17)15-14(2,13(16)18)10-5-6-10/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyQBGXKQIBOGOFHS-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(1-ethoxypropan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64967374
3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64882056
3,3-diethyl-1-(1-methoxypentan-2-yl)-1,4-diazepane-2,5-dione
CID 64972860
3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958170
1-(1-methoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956609
3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
CID 64964684
3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
CID 64972933
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958129
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64971614
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione (CID 64972797) is 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione is CCC(COC)N1CCC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is QBGXKQIBOGOFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-11(9-19-3)16-8-7-12(17)15-14(2,13(16)18)10-5-6-10/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64972797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).