CID 58463169

C16H23N3O8 — CID 58463169

IUPAC—
SMILES[CH]CCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCO)c1=O
InChIInChI=1S/C16H23N3O8/c1-2-3-10-26-12(21)5-7-18-14(23)17-15(24)19(16(18)25)8-6-13(22)27-11-4-9-20/h1,20H,2-11H2,(H,17,23,24)
InChIKeyAAGKPEPIFJHNKU-UHFFFAOYSA-N
MW385.37 g/mol
LogP-1.56
Rot. Bonds12

About CID 58463169

CID 58463169 (PubChem CID 58463169) has the molecular formula C16H23N3O8 and a molecular weight of 385.37 g/mol.

Molecular Properties

Compound NameCID 58463169
PubChem CID58463169
Molecular FormulaC16H23N3O8
Molecular Weight385.37 g/mol
Exact Mass385.15
IUPAC Name—
SMILES[CH]CCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCO)c1=O
InChIInChI=1S/C16H23N3O8/c1-2-3-10-26-12(21)5-7-18-14(23)17-15(24)19(16(18)25)8-6-13(22)27-11-4-9-20/h1,20H,2-11H2,(H,17,23,24)
InChIKeyAAGKPEPIFJHNKU-UHFFFAOYSA-N
XLogP-1.56
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58463169?
The IUPAC name of CID 58463169 (CID 58463169) is not available.
What is the SMILES notation for CID 58463169?
The canonical SMILES for CID 58463169 is [CH]CCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCO)c1=O.
What is the InChIKey of CID 58463169?
The InChIKey is AAGKPEPIFJHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O8/c1-2-3-10-26-12(21)5-7-18-14(23)17-15(24)19(16(18)25)8-6-13(22)27-11-4-9-20/h1,20H,2-11H2,(H,17,23,24).
What are the key properties of CID 58463169?
CID 58463169 has a molecular weight of 385.37 g/mol, XLogP of -1.56, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463169 is sourced from PubChem (CID 58463169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).