3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione

C15H28N2O2 — CID 64971507

IUPAC3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCC1(C)NC(=O)CCN(C(C)CCC(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-15(5)14(19)17(10-9-13(18)16-15)12(4)8-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyAOQOAQLGSRYRHJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds5

About 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione

3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione (PubChem CID 64971507) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
PubChem CID64971507
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
SMILESCCC1(C)NC(=O)CCN(C(C)CCC(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-15(5)14(19)17(10-9-13(18)16-15)12(4)8-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyAOQOAQLGSRYRHJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971505
1-(1-ethoxypropan-2-yl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64967932
3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958170
3-ethyl-1-(3-ethylpentan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64971625
3-ethyl-3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64965581
3,3-dimethyl-1-(4-methylpentan-2-yl)-1,4-diazepane-2,5-dione
CID 64960141
3,3-dimethyl-1-octan-2-yl-1,4-diazepane-2,5-dione
CID 64964979
3-ethyl-3-methyl-1-[1-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-2,5-dione
CID 64973207
3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970582
1-(1-methoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956609
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83168869
1-(1-ethoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64967930

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione (CID 64971507) is 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione is CCC1(C)NC(=O)CCN(C(C)CCC(C)C)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione?
The InChIKey is AOQOAQLGSRYRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-15(5)14(19)17(10-9-13(18)16-15)12(4)8-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione?
3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64971507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).