CID 162413468

C25H29NO5 — CID 162413468

IUPAC—
SMILESO=C1c2ccccc2C(=O)N1C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H29NO5/c27-22-20-3-1-2-4-21(20)23(28)26(22)19-5-7-24(8-6-19)29-14-25(31-30-24)17-10-15-9-16(12-17)13-18(25)11-15/h1-4,15-19H,5-14H2
InChIKeyFUGYMURZEFOFLH-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.09
Rot. Bonds1

About CID 162413468

CID 162413468 (PubChem CID 162413468) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol.

Molecular Properties

Compound NameCID 162413468
PubChem CID162413468
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)N1C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H29NO5/c27-22-20-3-1-2-4-21(20)23(28)26(22)19-5-7-24(8-6-19)29-14-25(31-30-24)17-10-15-9-16(12-17)13-18(25)11-15/h1-4,15-19H,5-14H2
InChIKeyFUGYMURZEFOFLH-UHFFFAOYSA-N
XLogP4.09
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.09
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 162413468?
The IUPAC name of CID 162413468 (CID 162413468) is not available.
What is the SMILES notation for CID 162413468?
The canonical SMILES for CID 162413468 is O=C1c2ccccc2C(=O)N1C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 162413468?
The InChIKey is FUGYMURZEFOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c27-22-20-3-1-2-4-21(20)23(28)26(22)19-5-7-24(8-6-19)29-14-25(31-30-24)17-10-15-9-16(12-17)13-18(25)11-15/h1-4,15-19H,5-14H2.
What are the key properties of CID 162413468?
CID 162413468 has a molecular weight of 423.51 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162413468 is sourced from PubChem (CID 162413468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).