CID 16723395

C26H46N2O8 — CID 16723395

IUPAC—
SMILESCC1(C)CC(C(=O)OCCOCCOCCOC(=O)C2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C26H46N2O8/c1-23(2)15-19(16-24(3,4)27(23)31)21(29)35-13-11-33-9-10-34-12-14-36-22(30)20-17-25(5,6)28(32)26(7,8)18-20/h19-20H,9-18H2,1-8H3
InChIKeyVFMZRZGWQWFQFM-UHFFFAOYSA-N
MW514.66 g/mol
LogP3.34
Rot. Bonds11

About CID 16723395

CID 16723395 (PubChem CID 16723395) has the molecular formula C26H46N2O8 and a molecular weight of 514.66 g/mol.

Molecular Properties

Compound NameCID 16723395
PubChem CID16723395
Molecular FormulaC26H46N2O8
Molecular Weight514.66 g/mol
Exact Mass514.33
IUPAC Name—
SMILESCC1(C)CC(C(=O)OCCOCCOCCOC(=O)C2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C26H46N2O8/c1-23(2)15-19(16-24(3,4)27(23)31)21(29)35-13-11-33-9-10-34-12-14-36-22(30)20-17-25(5,6)28(32)26(7,8)18-20/h19-20H,9-18H2,1-8H3
InChIKeyVFMZRZGWQWFQFM-UHFFFAOYSA-N
XLogP3.34
TPSA117.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.66
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 16723395?
The IUPAC name of CID 16723395 (CID 16723395) is not available.
What is the SMILES notation for CID 16723395?
The canonical SMILES for CID 16723395 is CC1(C)CC(C(=O)OCCOCCOCCOC(=O)C2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O].
What is the InChIKey of CID 16723395?
The InChIKey is VFMZRZGWQWFQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O8/c1-23(2)15-19(16-24(3,4)27(23)31)21(29)35-13-11-33-9-10-34-12-14-36-22(30)20-17-25(5,6)28(32)26(7,8)18-20/h19-20H,9-18H2,1-8H3.
What are the key properties of CID 16723395?
CID 16723395 has a molecular weight of 514.66 g/mol, XLogP of 3.34, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16723395 is sourced from PubChem (CID 16723395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).