CID 58463174

C20H31N3O8 — CID 58463174

IUPAC—
SMILES[CH]CCCCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCCCO)c1=O
InChIInChI=1S/C20H31N3O8/c1-2-3-4-7-14-30-16(25)9-11-22-18(27)21-19(28)23(20(22)29)12-10-17(26)31-15-8-5-6-13-24/h1,24H,2-15H2,(H,21,27,28)
InChIKeySEIGMXZJSSAOFI-UHFFFAOYSA-N
MW441.48 g/mol
LogP-0.00
Rot. Bonds16

About CID 58463174

CID 58463174 (PubChem CID 58463174) has the molecular formula C20H31N3O8 and a molecular weight of 441.48 g/mol.

Molecular Properties

Compound NameCID 58463174
PubChem CID58463174
Molecular FormulaC20H31N3O8
Molecular Weight441.48 g/mol
Exact Mass441.21
IUPAC Name—
SMILES[CH]CCCCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCCCO)c1=O
InChIInChI=1S/C20H31N3O8/c1-2-3-4-7-14-30-16(25)9-11-22-18(27)21-19(28)23(20(22)29)12-10-17(26)31-15-8-5-6-13-24/h1,24H,2-15H2,(H,21,27,28)
InChIKeySEIGMXZJSSAOFI-UHFFFAOYSA-N
XLogP-0.00
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze CID 58463174 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 58463174?
The IUPAC name of CID 58463174 (CID 58463174) is not available.
What is the SMILES notation for CID 58463174?
The canonical SMILES for CID 58463174 is [CH]CCCCCOC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OCCCCCO)c1=O.
What is the InChIKey of CID 58463174?
The InChIKey is SEIGMXZJSSAOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O8/c1-2-3-4-7-14-30-16(25)9-11-22-18(27)21-19(28)23(20(22)29)12-10-17(26)31-15-8-5-6-13-24/h1,24H,2-15H2,(H,21,27,28).
What are the key properties of CID 58463174?
CID 58463174 has a molecular weight of 441.48 g/mol, XLogP of -0.00, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463174 is sourced from PubChem (CID 58463174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).