CID 58463164

C20H31N3O8 — CID 58463164

IUPAC—
SMILES[CH]CC(C)(C)COC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCC(C)(C)CO)c1=O
InChIInChI=1S/C20H31N3O8/c1-6-19(2,3)12-30-14(25)7-9-22-16(27)21-17(28)23(18(22)29)10-8-15(26)31-13-20(4,5)11-24/h1,24H,6-13H2,2-5H3,(H,21,27,28)
InChIKeyQFLKDWBSEDCNSC-UHFFFAOYSA-N
MW441.48 g/mol
LogP-0.29
Rot. Bonds12

About CID 58463164

CID 58463164 (PubChem CID 58463164) has the molecular formula C20H31N3O8 and a molecular weight of 441.48 g/mol.

Molecular Properties

Compound NameCID 58463164
PubChem CID58463164
Molecular FormulaC20H31N3O8
Molecular Weight441.48 g/mol
Exact Mass441.21
IUPAC Name—
SMILES[CH]CC(C)(C)COC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCC(C)(C)CO)c1=O
InChIInChI=1S/C20H31N3O8/c1-6-19(2,3)12-30-14(25)7-9-22-16(27)21-17(28)23(18(22)29)10-8-15(26)31-13-20(4,5)11-24/h1,24H,6-13H2,2-5H3,(H,21,27,28)
InChIKeyQFLKDWBSEDCNSC-UHFFFAOYSA-N
XLogP-0.29
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze CID 58463164 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 58463164?
The IUPAC name of CID 58463164 (CID 58463164) is not available.
What is the SMILES notation for CID 58463164?
The canonical SMILES for CID 58463164 is [CH]CC(C)(C)COC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCC(C)(C)CO)c1=O.
What is the InChIKey of CID 58463164?
The InChIKey is QFLKDWBSEDCNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O8/c1-6-19(2,3)12-30-14(25)7-9-22-16(27)21-17(28)23(18(22)29)10-8-15(26)31-13-20(4,5)11-24/h1,24H,6-13H2,2-5H3,(H,21,27,28).
What are the key properties of CID 58463164?
CID 58463164 has a molecular weight of 441.48 g/mol, XLogP of -0.29, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463164 is sourced from PubChem (CID 58463164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).