1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione

C14H26N2O2 — CID 64958124

IUPAC1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
SMILESCCC(C)(C)N1CCC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-14(4,5)16-8-7-12(17)15-11(13(16)18)9-10(2)3/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyQQEVEFDLPWRCPR-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds4

About 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione

1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione (PubChem CID 64958124) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
PubChem CID64958124
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
SMILESCCC(C)(C)N1CCC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-14(4,5)16-8-7-12(17)15-11(13(16)18)9-10(2)3/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyQQEVEFDLPWRCPR-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64956015
1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958879
3-(2-methylpropyl)-1-(1-methylsulfanylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 113473111
1-(2-methylbut-3-yn-2-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64972504
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
1-(4-chlorophenyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64961189
3-(2-methylpropyl)-1-(3-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 64972022
1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione
CID 79778176
1-(1-methylcyclopentyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64973589
3-(2-methylpropyl)-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazepane-2,5-dione
CID 79361963
3-(2-methylpropyl)-1-(thiolan-3-yl)-1,4-diazepane-2,5-dione
CID 103065096
3-(2-methylpropyl)-1-(1-methylsulfonylpropan-2-yl)-1,4-diazepane-2,5-dione
CID 64972970

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione (CID 64958124) is 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione is CCC(C)(C)N1CCC(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
The InChIKey is QQEVEFDLPWRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-14(4,5)16-8-7-12(17)15-11(13(16)18)9-10(2)3/h10-11H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione?
1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64958124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).