CID 58982334

C21H30NO5 — CID 58982334

IUPAC—
SMILESCCC1(CC)CC2(CC(C)(C)N1[O])OCC(COC(=O)c1ccccc1)O2
InChIInChI=1S/C21H30NO5/c1-5-20(6-2)15-21(14-19(3,4)22(20)24)26-13-17(27-21)12-25-18(23)16-10-8-7-9-11-16/h7-11,17H,5-6,12-15H2,1-4H3
InChIKeyKKTKDOCANNZPEV-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.73
Rot. Bonds5

About CID 58982334

CID 58982334 (PubChem CID 58982334) has the molecular formula C21H30NO5 and a molecular weight of 376.47 g/mol.

Molecular Properties

Compound NameCID 58982334
PubChem CID58982334
Molecular FormulaC21H30NO5
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name—
SMILESCCC1(CC)CC2(CC(C)(C)N1[O])OCC(COC(=O)c1ccccc1)O2
InChIInChI=1S/C21H30NO5/c1-5-20(6-2)15-21(14-19(3,4)22(20)24)26-13-17(27-21)12-25-18(23)16-10-8-7-9-11-16/h7-11,17H,5-6,12-15H2,1-4H3
InChIKeyKKTKDOCANNZPEV-UHFFFAOYSA-N
XLogP3.73
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58982334?
The IUPAC name of CID 58982334 (CID 58982334) is not available.
What is the SMILES notation for CID 58982334?
The canonical SMILES for CID 58982334 is CCC1(CC)CC2(CC(C)(C)N1[O])OCC(COC(=O)c1ccccc1)O2.
What is the InChIKey of CID 58982334?
The InChIKey is KKTKDOCANNZPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NO5/c1-5-20(6-2)15-21(14-19(3,4)22(20)24)26-13-17(27-21)12-25-18(23)16-10-8-7-9-11-16/h7-11,17H,5-6,12-15H2,1-4H3.
What are the key properties of CID 58982334?
CID 58982334 has a molecular weight of 376.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58982334 is sourced from PubChem (CID 58982334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).