CID 58982281

C22H32NO5 — CID 58982281

IUPAC—
SMILESCCC1(C)CC2(OCC(COC(=O)c3ccccc3)O2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C22H32NO5/c1-6-20(4)15-22(16(3)21(5,7-2)23(20)25)27-14-18(28-22)13-26-19(24)17-11-9-8-10-12-17/h8-12,16,18H,6-7,13-15H2,1-5H3
InChIKeyGADQHZUODUKGIZ-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.98
Rot. Bonds5

About CID 58982281

CID 58982281 (PubChem CID 58982281) has the molecular formula C22H32NO5 and a molecular weight of 390.50 g/mol.

Molecular Properties

Compound NameCID 58982281
PubChem CID58982281
Molecular FormulaC22H32NO5
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name—
SMILESCCC1(C)CC2(OCC(COC(=O)c3ccccc3)O2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C22H32NO5/c1-6-20(4)15-22(16(3)21(5,7-2)23(20)25)27-14-18(28-22)13-26-19(24)17-11-9-8-10-12-17/h8-12,16,18H,6-7,13-15H2,1-5H3
InChIKeyGADQHZUODUKGIZ-UHFFFAOYSA-N
XLogP3.98
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58982281?
The IUPAC name of CID 58982281 (CID 58982281) is not available.
What is the SMILES notation for CID 58982281?
The canonical SMILES for CID 58982281 is CCC1(C)CC2(OCC(COC(=O)c3ccccc3)O2)C(C)C(C)(CC)N1[O].
What is the InChIKey of CID 58982281?
The InChIKey is GADQHZUODUKGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32NO5/c1-6-20(4)15-22(16(3)21(5,7-2)23(20)25)27-14-18(28-22)13-26-19(24)17-11-9-8-10-12-17/h8-12,16,18H,6-7,13-15H2,1-5H3.
What are the key properties of CID 58982281?
CID 58982281 has a molecular weight of 390.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58982281 is sourced from PubChem (CID 58982281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).