CID 44819658

C20H19N2O4 — CID 44819658

IUPAC—
SMILESCCOC(=O)c1cc([C]2[CH][CH][CH][CH]2)nn1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H19N2O4/c1-3-26-20(24)18-12-17(14-6-4-5-7-14)21-22(18)13-19(23)15-8-10-16(25-2)11-9-15/h4-12H,3,13H2,1-2H3
InChIKeyJTGICMWMNWIHMR-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.70
Rot. Bonds7

About CID 44819658

CID 44819658 (PubChem CID 44819658) has the molecular formula C20H19N2O4 and a molecular weight of 351.38 g/mol.

Molecular Properties

Compound NameCID 44819658
PubChem CID44819658
Molecular FormulaC20H19N2O4
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name—
SMILESCCOC(=O)c1cc([C]2[CH][CH][CH][CH]2)nn1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H19N2O4/c1-3-26-20(24)18-12-17(14-6-4-5-7-14)21-22(18)13-19(23)15-8-10-16(25-2)11-9-15/h4-12H,3,13H2,1-2H3
InChIKeyJTGICMWMNWIHMR-UHFFFAOYSA-N
XLogP2.70
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze CID 44819658 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 CID 44819658?
The IUPAC name of CID 44819658 (CID 44819658) is not available.
What is the SMILES notation for CID 44819658?
The canonical SMILES for CID 44819658 is CCOC(=O)c1cc([C]2[CH][CH][CH][CH]2)nn1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of CID 44819658?
The InChIKey is JTGICMWMNWIHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2O4/c1-3-26-20(24)18-12-17(14-6-4-5-7-14)21-22(18)13-19(23)15-8-10-16(25-2)11-9-15/h4-12H,3,13H2,1-2H3.
What are the key properties of CID 44819658?
CID 44819658 has a molecular weight of 351.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44819658 is sourced from PubChem (CID 44819658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).