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

C16H26N2O2 — CID 64968236

IUPAC3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione
SMILESCC1(C2CC2)NC(=O)CCN(C2(C)CCCCC2)C1=O
InChIInChI=1S/C16H26N2O2/c1-15(9-4-3-5-10-15)18-11-8-13(19)17-16(2,14(18)20)12-6-7-12/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyBADIMQLRTVCCEK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds2

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

3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione (PubChem CID 64968236) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione
PubChem CID64968236
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione
SMILESCC1(C2CC2)NC(=O)CCN(C2(C)CCCCC2)C1=O
InChIInChI=1S/C16H26N2O2/c1-15(9-4-3-5-10-15)18-11-8-13(19)17-16(2,14(18)20)12-6-7-12/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyBADIMQLRTVCCEK-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 81041950
3-cyclopropyl-1-(2-methoxyethyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64882056
3-cyclopropyl-3-methyl-1-(thian-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80612068
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883027
1-(1-methylcyclopentyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64973589
3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
3-cyclopropyl-1-(1-ethoxypropan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64967374
3,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-1,4-diazepane-2,5-dione
CID 64967860
3-cyclopropyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 106383741
3-cyclopropyl-1-(2,4-dibromophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64965325
11-(2,2-dimethylcyclopentyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 79872046
1-(2-chloro-5-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107640186

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione (CID 64968236) is 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione is CC1(C2CC2)NC(=O)CCN(C2(C)CCCCC2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione?
The InChIKey is BADIMQLRTVCCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(9-4-3-5-10-15)18-11-8-13(19)17-16(2,14(18)20)12-6-7-12/h12H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione?
3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(1-methylcyclohexyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64968236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).