3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione

C15H26N2O2 — CID 64884024

IUPAC3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)N1C(=O)C(C2CCCCC2)NC(=O)CC1C
InChIInChI=1S/C15H26N2O2/c1-10(2)17-11(3)9-13(18)16-14(15(17)19)12-7-5-4-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,16,18)
InChIKeyIFOXDACKPJJCEU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds2

About 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione

3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 64884024) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
PubChem CID64884024
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)N1C(=O)C(C2CCCCC2)NC(=O)CC1C
InChIInChI=1S/C15H26N2O2/c1-10(2)17-11(3)9-13(18)16-14(15(17)19)12-7-5-4-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,16,18)
InChIKeyIFOXDACKPJJCEU-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 114013090
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
CID 64883443
1-but-3-yn-2-yl-3-cyclohexylpiperazine-2,5-dione
CID 114420556
1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione
CID 114420569
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958271
3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970548

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione (CID 64884024) is 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione is CC(C)N1C(=O)C(C2CCCCC2)NC(=O)CC1C.
What is the InChIKey of 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is IFOXDACKPJJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)17-11(3)9-13(18)16-14(15(17)19)12-7-5-4-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64884024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).