2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one

C12H24N2O2 — CID 18760513

IUPAC2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)NC(C)C(C)(CC)N1O
InChIInChI=1S/C12H24N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h9,16H,6-8H2,1-5H3,(H,13,15)
InChIKeyXPBYCOVRGGFGON-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.92
Rot. Bonds2

About 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one

2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one (PubChem CID 18760513) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one
PubChem CID18760513
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)NC(C)C(C)(CC)N1O
InChIInChI=1S/C12H24N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h9,16H,6-8H2,1-5H3,(H,13,15)
InChIKeyXPBYCOVRGGFGON-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

Cambridge id 5510952
CID 870734
2,7-Diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one
CID 18760564
2,7-Dimethyl-2,7-di(propan-2-yl)-1,4-diazepan-5-one
CID 21525157
[(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical
CID 44827978
N-(azepan-4-yl)-N-hydroxy-4-methylpentanamide
CID 57167898
CID 59919920
CID 59919920
CID 59919931
CID 59919931
3,5-Diethyl-2,3,5-trimethyl-7-oxo-1,4-diazepane-1-carboxylic acid
CID 69013017
2,7-Diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
CID 69406107
2,7-Diethyl-2,3,7-trimethyl-1,4-diazepan-5-one
CID 70590079
(2R)-2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
CID 71129117
4-Butyl-2,7-diethyl-2,3,7-trimethyl-1,4-diazepan-5-one
CID 71392971

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one?
The IUPAC name of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one (CID 18760513) is 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one?
The canonical SMILES for 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one is CCC1(C)CC(=O)NC(C)C(C)(CC)N1O.
What is the InChIKey of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one?
The InChIKey is XPBYCOVRGGFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-11(4)8-10(15)13-9(3)12(5,7-2)14(11)16/h9,16H,6-8H2,1-5H3,(H,13,15).
What are the key properties of 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one?
2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one has a molecular weight of 228.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 18760513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).