CID 58463176

C24H39N3O8 — CID 58463176

IUPAC—
SMILES[CH]CCCCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCCCO)c1=O
InChIInChI=1S/C24H39N3O8/c1-4-5-6-8-11-18(2)34-20(29)13-15-26-22(31)25-23(32)27(24(26)33)16-14-21(30)35-19(3)12-9-7-10-17-28/h1,18-19,28H,4-17H2,2-3H3,(H,25,31,32)
InChIKeyFEUOFHWQTLZYCX-UHFFFAOYSA-N
MW497.59 g/mol
LogP1.56
Rot. Bonds18

About CID 58463176

CID 58463176 (PubChem CID 58463176) has the molecular formula C24H39N3O8 and a molecular weight of 497.59 g/mol.

Molecular Properties

Compound NameCID 58463176
PubChem CID58463176
Molecular FormulaC24H39N3O8
Molecular Weight497.59 g/mol
Exact Mass497.27
IUPAC Name—
SMILES[CH]CCCCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCCCO)c1=O
InChIInChI=1S/C24H39N3O8/c1-4-5-6-8-11-18(2)34-20(29)13-15-26-22(31)25-23(32)27(24(26)33)16-14-21(30)35-19(3)12-9-7-10-17-28/h1,18-19,28H,4-17H2,2-3H3,(H,25,31,32)
InChIKeyFEUOFHWQTLZYCX-UHFFFAOYSA-N
XLogP1.56
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 51.56
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 58463176?
The IUPAC name of CID 58463176 (CID 58463176) is not available.
What is the SMILES notation for CID 58463176?
The canonical SMILES for CID 58463176 is [CH]CCCCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCCCO)c1=O.
What is the InChIKey of CID 58463176?
The InChIKey is FEUOFHWQTLZYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O8/c1-4-5-6-8-11-18(2)34-20(29)13-15-26-22(31)25-23(32)27(24(26)33)16-14-21(30)35-19(3)12-9-7-10-17-28/h1,18-19,28H,4-17H2,2-3H3,(H,25,31,32).
What are the key properties of CID 58463176?
CID 58463176 has a molecular weight of 497.59 g/mol, XLogP of 1.56, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463176 is sourced from PubChem (CID 58463176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).