N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

C13H19NO4 — CID 23274847

IUPACN,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCCN(CC)C(=O)C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C13H19NO4/c1-3-14(4-2)12(16)8-6-5-7-9(8)13(17)18-11(7)10(6)15/h6-11,15H,3-5H2,1-2H3
InChIKeyVFZJJNIMCBYJJB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.02
Rot. Bonds3

About N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (PubChem CID 23274847) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
PubChem CID23274847
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCCN(CC)C(=O)C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C13H19NO4/c1-3-14(4-2)12(16)8-6-5-7-9(8)13(17)18-11(7)10(6)15/h6-11,15H,3-5H2,1-2H3
InChIKeyVFZJJNIMCBYJJB-UHFFFAOYSA-N
XLogP0.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide 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 N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The IUPAC name of N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (CID 23274847) is N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is CCN(CC)C(=O)C1C2CC3C(OC(=O)C31)C2O.
What is the InChIKey of N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The InChIKey is VFZJJNIMCBYJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-14(4-2)12(16)8-6-5-7-9(8)13(17)18-11(7)10(6)15/h6-11,15H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is sourced from PubChem (CID 23274847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).