4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide

C21H26N2O2 — CID 671014

IUPAC4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)17-6-4-16(5-7-17)20(24)22-18-8-10-19(11-9-18)23-12-14-25-15-13-23/h4-11H,12-15H2,1-3H3,(H,22,24)
InChIKeyARULSDQRCKOYIO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.07
Rot. Bonds3

About 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide

4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 671014) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID671014
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)17-6-4-16(5-7-17)20(24)22-18-8-10-19(11-9-18)23-12-14-25-15-13-23/h4-11H,12-15H2,1-3H3,(H,22,24)
InChIKeyARULSDQRCKOYIO-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 671014) is 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is ARULSDQRCKOYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,3)17-6-4-16(5-7-17)20(24)22-18-8-10-19(11-9-18)23-12-14-25-15-13-23/h4-11H,12-15H2,1-3H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide?
4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 671014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).