CID 58463175

C22H35N3O8 — CID 58463175

IUPAC—
SMILES[CH]CCCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCCO)c1=O
InChIInChI=1S/C22H35N3O8/c1-4-5-6-9-16(2)32-18(27)11-13-24-20(29)23-21(30)25(22(24)31)14-12-19(28)33-17(3)10-7-8-15-26/h1,16-17,26H,4-15H2,2-3H3,(H,23,29,30)
InChIKeyRSDSQOPJMJARJW-UHFFFAOYSA-N
MW469.54 g/mol
LogP0.78
Rot. Bonds16

About CID 58463175

CID 58463175 (PubChem CID 58463175) has the molecular formula C22H35N3O8 and a molecular weight of 469.54 g/mol.

Molecular Properties

Compound NameCID 58463175
PubChem CID58463175
Molecular FormulaC22H35N3O8
Molecular Weight469.54 g/mol
Exact Mass469.24
IUPAC Name—
SMILES[CH]CCCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCCO)c1=O
InChIInChI=1S/C22H35N3O8/c1-4-5-6-9-16(2)32-18(27)11-13-24-20(29)23-21(30)25(22(24)31)14-12-19(28)33-17(3)10-7-8-15-26/h1,16-17,26H,4-15H2,2-3H3,(H,23,29,30)
InChIKeyRSDSQOPJMJARJW-UHFFFAOYSA-N
XLogP0.78
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 50.78
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 58463175?
The IUPAC name of CID 58463175 (CID 58463175) is not available.
What is the SMILES notation for CID 58463175?
The canonical SMILES for CID 58463175 is [CH]CCCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCCO)c1=O.
What is the InChIKey of CID 58463175?
The InChIKey is RSDSQOPJMJARJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O8/c1-4-5-6-9-16(2)32-18(27)11-13-24-20(29)23-21(30)25(22(24)31)14-12-19(28)33-17(3)10-7-8-15-26/h1,16-17,26H,4-15H2,2-3H3,(H,23,29,30).
What are the key properties of CID 58463175?
CID 58463175 has a molecular weight of 469.54 g/mol, XLogP of 0.78, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463175 is sourced from PubChem (CID 58463175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).