4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide

C22H28N2O2 — CID 4788654

IUPAC4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(17-8-6-5-7-9-17)24-20(25)14-15-23-21(26)18-10-12-19(13-11-18)22(2,3)4/h5-13,16H,14-15H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyOQSNQINSVQPYBE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.98
Rot. Bonds6

About 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide

4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide (PubChem CID 4788654) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
PubChem CID4788654
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
SMILESCC(NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(17-8-6-5-7-9-17)24-20(25)14-15-23-21(26)18-10-12-19(13-11-18)22(2,3)4/h5-13,16H,14-15H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyOQSNQINSVQPYBE-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide (CID 4788654) is 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide is CC(NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
The InChIKey is OQSNQINSVQPYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(17-8-6-5-7-9-17)24-20(25)14-15-23-21(26)18-10-12-19(13-11-18)22(2,3)4/h5-13,16H,14-15H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide?
4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide is sourced from PubChem (CID 4788654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).