4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

C22H26N2O3 — CID 2994122

IUPAC4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)18-9-7-16(8-10-18)20(25)23-19-6-4-5-17(15-19)21(26)24-11-13-27-14-12-24/h4-10,15H,11-14H2,1-3H3,(H,23,25)
InChIKeyZEXQVKNYOMLTFR-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.71
Rot. Bonds3

About 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 2994122) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID2994122
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)18-9-7-16(8-10-18)20(25)23-19-6-4-5-17(15-19)21(26)24-11-13-27-14-12-24/h4-10,15H,11-14H2,1-3H3,(H,23,25)
InChIKeyZEXQVKNYOMLTFR-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (CID 2994122) is 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is ZEXQVKNYOMLTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)18-9-7-16(8-10-18)20(25)23-19-6-4-5-17(15-19)21(26)24-11-13-27-14-12-24/h4-10,15H,11-14H2,1-3H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
4-tert-butyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.71, 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-[3-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2994122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).