3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione

C16H30N2O2 — CID 82934853

IUPAC3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
SMILESCCC(CC)CN1C(=O)C(CC)(CC)NC(=O)CC1C
InChIInChI=1S/C16H30N2O2/c1-6-13(7-2)11-18-12(5)10-14(19)17-16(8-3,9-4)15(18)20/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyCGORZZHBDNGWJQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds6

About 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione

3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione (PubChem CID 82934853) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
PubChem CID82934853
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
SMILESCCC(CC)CN1C(=O)C(CC)(CC)NC(=O)CC1C
InChIInChI=1S/C16H30N2O2/c1-6-13(7-2)11-18-12(5)10-14(19)17-16(8-3,9-4)15(18)20/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyCGORZZHBDNGWJQ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83169004
3,3-diethyl-7-methyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane-2,5-dione
CID 64881935
3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
CID 82935951
3-cyclopropyl-1-(2,2-difluoroethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64883612
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83168869
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
CID 113464217
3-ethyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione
CID 114014219
3,3,7-trimethyl-1-(3-methylbutyl)-1,4-diazepane-2,5-dione
CID 64883002
3,3,7-trimethyl-1-nonyl-1,4-diazepane-2,5-dione
CID 64884576
1-hexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883585
1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
3,3-diethyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959698

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione (CID 82934853) is 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione is CCC(CC)CN1C(=O)C(CC)(CC)NC(=O)CC1C.
What is the InChIKey of 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
The InChIKey is CGORZZHBDNGWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-13(7-2)11-18-12(5)10-14(19)17-16(8-3,9-4)15(18)20/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione?
3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 82934853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).