3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate

C19H30N2O6 — CID 55401507

IUPAC3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
SMILESO=C(CN1CCCCCC1=O)OCCCOC(=O)CN1CCCCCC1=O
InChIInChI=1S/C19H30N2O6/c22-16-8-3-1-5-10-20(16)14-18(24)26-12-7-13-27-19(25)15-21-11-6-2-4-9-17(21)23/h1-15H2
InChIKeyDGJAPIHMYKNMIY-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.27
Rot. Bonds8

About 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate

3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate (PubChem CID 55401507) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
PubChem CID55401507
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
SMILESO=C(CN1CCCCCC1=O)OCCCOC(=O)CN1CCCCCC1=O
InChIInChI=1S/C19H30N2O6/c22-16-8-3-1-5-10-20(16)14-18(24)26-12-7-13-27-19(25)15-21-11-6-2-4-9-17(21)23/h1-15H2
InChIKeyDGJAPIHMYKNMIY-UHFFFAOYSA-N
XLogP1.27
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate 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

nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
[(E)-3-chloroprop-2-enyl] 2-(2-oxoazepan-1-yl)acetate
CID 75412929
2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate
CID 75400870
1-decylazepan-2-one;1-dodecylazepan-2-one;ethyl 2-(2-oxoazepan-1-yl)acetate;ethyl 3-(2-oxoazepan-1-yl)propanoate;1-hexylazepan-2-one;1-octylazepan-2-one
CID 158138432
3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
CID 70824820
2-(2-oxopiperidin-1-yl)acetate
CID 18981165
[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride
CID 139633052
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate (CID 55401507) is 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate is O=C(CN1CCCCCC1=O)OCCCOC(=O)CN1CCCCCC1=O.
What is the InChIKey of 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is DGJAPIHMYKNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6/c22-16-8-3-1-5-10-20(16)14-18(24)26-12-7-13-27-19(25)15-21-11-6-2-4-9-17(21)23/h1-15H2.
What are the key properties of 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate?
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 382.46 g/mol, XLogP of 1.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 55401507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).