3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione

C13H24N2O2 — CID 64958170

IUPAC3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
SMILESCCC(CC)N1CCC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-10(6-2)15-9-8-11(16)14-13(4,7-3)12(15)17/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyBIPVVKRTYRHVAC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.69
Rot. Bonds4

About 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione

3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione (PubChem CID 64958170) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
PubChem CID64958170
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
SMILESCCC(CC)N1CCC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-10(6-2)15-9-8-11(16)14-13(4,7-3)12(15)17/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyBIPVVKRTYRHVAC-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-ethylpentan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64971625
3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971507
1-(1-ethoxypropan-2-yl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64967932
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-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64965581
3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958129
1-(3-ethylpentan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64971614
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 107902510
1-(4-bromophenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64962399
3-ethyl-1-(2-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963296
3-ethyl-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepane-2,5-dione
CID 64968274

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione (CID 64958170) is 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione is CCC(CC)N1CCC(=O)NC(C)(CC)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
The InChIKey is BIPVVKRTYRHVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-10(6-2)15-9-8-11(16)14-13(4,7-3)12(15)17/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione?
3-ethyl-3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.69, 4 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-pentan-3-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64958170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).