(4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone

C21H25NO2 — CID 16894722

IUPAC(4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)18-11-9-17(10-12-18)20(23)22-13-14-24-19(15-22)16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3
InChIKeyGCPOWJGLRONERV-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.20
Rot. Bonds2

About (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone

(4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 16894722) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID16894722
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)18-11-9-17(10-12-18)20(23)22-13-14-24-19(15-22)16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3
InChIKeyGCPOWJGLRONERV-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone 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 (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone (CID 16894722) is (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone is CC(C)(C)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is GCPOWJGLRONERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,3)18-11-9-17(10-12-18)20(23)22-13-14-24-19(15-22)16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone?
(4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 16894722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).