CID 134969804

C22H28NO3 — CID 134969804

IUPAC—
SMILESCC(C)C(c1ccccc1)N([O])C1(c2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C22H28NO3/c1-17(2)20(18-11-7-5-8-12-18)23(24)22(19-13-9-6-10-14-19)15-25-21(3,4)26-16-22/h5-14,17,20H,15-16H2,1-4H3
InChIKeyYRBPAUSBVAICLY-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.71
Rot. Bonds5

About CID 134969804

CID 134969804 (PubChem CID 134969804) has the molecular formula C22H28NO3 and a molecular weight of 354.47 g/mol.

Molecular Properties

Compound NameCID 134969804
PubChem CID134969804
Molecular FormulaC22H28NO3
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name—
SMILESCC(C)C(c1ccccc1)N([O])C1(c2ccccc2)COC(C)(C)OC1
InChIInChI=1S/C22H28NO3/c1-17(2)20(18-11-7-5-8-12-18)23(24)22(19-13-9-6-10-14-19)15-25-21(3,4)26-16-22/h5-14,17,20H,15-16H2,1-4H3
InChIKeyYRBPAUSBVAICLY-UHFFFAOYSA-N
XLogP4.71
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 134969804 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134969804?
The IUPAC name of CID 134969804 (CID 134969804) is not available.
What is the SMILES notation for CID 134969804?
The canonical SMILES for CID 134969804 is CC(C)C(c1ccccc1)N([O])C1(c2ccccc2)COC(C)(C)OC1.
What is the InChIKey of CID 134969804?
The InChIKey is YRBPAUSBVAICLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28NO3/c1-17(2)20(18-11-7-5-8-12-18)23(24)22(19-13-9-6-10-14-19)15-25-21(3,4)26-16-22/h5-14,17,20H,15-16H2,1-4H3.
What are the key properties of CID 134969804?
CID 134969804 has a molecular weight of 354.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134969804 is sourced from PubChem (CID 134969804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).