CID 135025541

C23H40N2O6 — CID 135025541

IUPAC—
SMILESCC(C)(C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C23H40N2O6/c1-19(2)11-15(12-20(3,4)24(19)28)30-17(26)23(9,10)18(27)31-16-13-21(5,6)25(29)22(7,8)14-16/h15-16H,11-14H2,1-10H3
InChIKeyGLZJFSYUNSBJSC-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.83
Rot. Bonds4

About CID 135025541

CID 135025541 (PubChem CID 135025541) has the molecular formula C23H40N2O6 and a molecular weight of 440.58 g/mol.

Molecular Properties

Compound NameCID 135025541
PubChem CID135025541
Molecular FormulaC23H40N2O6
Molecular Weight440.58 g/mol
Exact Mass440.29
IUPAC Name—
SMILESCC(C)(C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C23H40N2O6/c1-19(2)11-15(12-20(3,4)24(19)28)30-17(26)23(9,10)18(27)31-16-13-21(5,6)25(29)22(7,8)14-16/h15-16H,11-14H2,1-10H3
InChIKeyGLZJFSYUNSBJSC-UHFFFAOYSA-N
XLogP3.83
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135025541?
The IUPAC name of CID 135025541 (CID 135025541) is not available.
What is the SMILES notation for CID 135025541?
The canonical SMILES for CID 135025541 is CC(C)(C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 135025541?
The InChIKey is GLZJFSYUNSBJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O6/c1-19(2)11-15(12-20(3,4)24(19)28)30-17(26)23(9,10)18(27)31-16-13-21(5,6)25(29)22(7,8)14-16/h15-16H,11-14H2,1-10H3.
What are the key properties of CID 135025541?
CID 135025541 has a molecular weight of 440.58 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135025541 is sourced from PubChem (CID 135025541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).