3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione

C15H28N2O2 — CID 83168869

IUPAC3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
SMILESCCC1(C)NC(=O)CC(C)N(CCCC(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-15(5)14(19)17(9-7-8-11(2)3)12(4)10-13(18)16-15/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyJWEDPJZZHXLLIR-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds5

About 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione

3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione (PubChem CID 83168869) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
PubChem CID83168869
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
SMILESCCC1(C)NC(=O)CC(C)N(CCCC(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-15(5)14(19)17(9-7-8-11(2)3)12(4)10-13(18)16-15/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyJWEDPJZZHXLLIR-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione (CID 83168869) is 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione is CCC1(C)NC(=O)CC(C)N(CCCC(C)C)C1=O.
What is the InChIKey of 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione?
The InChIKey is JWEDPJZZHXLLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-15(5)14(19)17(9-7-8-11(2)3)12(4)10-13(18)16-15/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione?
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 83168869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).