3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one

C20H25NO — CID 46232283

IUPAC3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one
SMILESCC(C)(C)N(CCC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)21(16-17-10-6-4-7-11-17)15-14-19(22)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyPEQILCURPMLZOF-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.56
Rot. Bonds6

About 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one

3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one (PubChem CID 46232283) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one
PubChem CID46232283
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one
SMILESCC(C)(C)N(CCC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-20(2,3)21(16-17-10-6-4-7-11-17)15-14-19(22)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyPEQILCURPMLZOF-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one (CID 46232283) is 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one is CC(C)(C)N(CCC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one?
The InChIKey is PEQILCURPMLZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-20(2,3)21(16-17-10-6-4-7-11-17)15-14-19(22)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3.
What are the key properties of 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one?
3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one has a molecular weight of 295.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(tert-butyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 46232283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).