CID 134928277

C26H31NO5 — CID 134928277

IUPAC—
SMILESCC1(CN2C(=O)c3ccccc3C2=O)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H31NO5/c1-24(15-27-22(28)20-4-2-3-5-21(20)23(27)29)6-8-25(9-7-24)30-26(32-31-25)18-11-16-10-17(13-18)14-19(26)12-16/h2-5,16-19H,6-15H2,1H3
InChIKeyPGJAKGWRJAHDLW-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.69
Rot. Bonds2

About CID 134928277

CID 134928277 (PubChem CID 134928277) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol.

Molecular Properties

Compound NameCID 134928277
PubChem CID134928277
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name—
SMILESCC1(CN2C(=O)c3ccccc3C2=O)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H31NO5/c1-24(15-27-22(28)20-4-2-3-5-21(20)23(27)29)6-8-25(9-7-24)30-26(32-31-25)18-11-16-10-17(13-18)14-19(26)12-16/h2-5,16-19H,6-15H2,1H3
InChIKeyPGJAKGWRJAHDLW-UHFFFAOYSA-N
XLogP4.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134928277?
The IUPAC name of CID 134928277 (CID 134928277) is not available.
What is the SMILES notation for CID 134928277?
The canonical SMILES for CID 134928277 is CC1(CN2C(=O)c3ccccc3C2=O)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 134928277?
The InChIKey is PGJAKGWRJAHDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-24(15-27-22(28)20-4-2-3-5-21(20)23(27)29)6-8-25(9-7-24)30-26(32-31-25)18-11-16-10-17(13-18)14-19(26)12-16/h2-5,16-19H,6-15H2,1H3.
What are the key properties of CID 134928277?
CID 134928277 has a molecular weight of 437.54 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134928277 is sourced from PubChem (CID 134928277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).