2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C15H26N2O4 — CID 156612052

IUPAC2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOCCC(=O)N1CCCOCCNC(=O)C2CCCC21
InChIInChI=1S/C15H26N2O4/c1-20-10-6-14(18)17-8-3-9-21-11-7-16-15(19)12-4-2-5-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyDJCHTBIZZYICTG-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.56
Rot. Bonds3

About 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 156612052) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID156612052
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOCCC(=O)N1CCCOCCNC(=O)C2CCCC21
InChIInChI=1S/C15H26N2O4/c1-20-10-6-14(18)17-8-3-9-21-11-7-16-15(19)12-4-2-5-13(12)17/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyDJCHTBIZZYICTG-UHFFFAOYSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one 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 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 156612052) is 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is COCCC(=O)N1CCCOCCNC(=O)C2CCCC21.
What is the InChIKey of 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is DJCHTBIZZYICTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-20-10-6-14(18)17-8-3-9-21-11-7-16-15(19)12-4-2-5-13(12)17/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 298.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 156612052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).