1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione

C17H30N2O2 — CID 64959115

IUPAC1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-17(6-2)16(21)19(11-10-15(20)18-17)14-9-7-8-12(3)13(14)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyNGSLQHLFPKXXAP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds3

About 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione

1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione (PubChem CID 64959115) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione
PubChem CID64959115
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-17(6-2)16(21)19(11-10-15(20)18-17)14-9-7-8-12(3)13(14)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyNGSLQHLFPKXXAP-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-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 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione (CID 64959115) is 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione is CCC1(CC)NC(=O)CCN(C2CCCC(C)C2C)C1=O.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione?
The InChIKey is NGSLQHLFPKXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-17(6-2)16(21)19(11-10-15(20)18-17)14-9-7-8-12(3)13(14)4/h12-14H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione?
1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64959115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).