1-[tert-butyl(2-phenylethyl)amino]butan-2-one

C16H25NO — CID 71046524

IUPAC1-[tert-butyl(2-phenylethyl)amino]butan-2-one
SMILESCCC(=O)CN(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-15(18)13-17(16(2,3)4)12-11-14-9-7-6-8-10-14/h6-10H,5,11-13H2,1-4H3
InChIKeyFKUBODUIXZCNAJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.31
Rot. Bonds6

About 1-[tert-butyl(2-phenylethyl)amino]butan-2-one

1-[tert-butyl(2-phenylethyl)amino]butan-2-one (PubChem CID 71046524) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[tert-butyl(2-phenylethyl)amino]butan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(2-phenylethyl)amino]butan-2-one
PubChem CID71046524
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[tert-butyl(2-phenylethyl)amino]butan-2-one
SMILESCCC(=O)CN(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-15(18)13-17(16(2,3)4)12-11-14-9-7-6-8-10-14/h6-10H,5,11-13H2,1-4H3
InChIKeyFKUBODUIXZCNAJ-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(2-phenylethyl)amino]butan-2-one?
The IUPAC name of 1-[tert-butyl(2-phenylethyl)amino]butan-2-one (CID 71046524) is 1-[tert-butyl(2-phenylethyl)amino]butan-2-one.
What is the SMILES notation for 1-[tert-butyl(2-phenylethyl)amino]butan-2-one?
The canonical SMILES for 1-[tert-butyl(2-phenylethyl)amino]butan-2-one is CCC(=O)CN(CCc1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(2-phenylethyl)amino]butan-2-one?
The InChIKey is FKUBODUIXZCNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-15(18)13-17(16(2,3)4)12-11-14-9-7-6-8-10-14/h6-10H,5,11-13H2,1-4H3.
What are the key properties of 1-[tert-butyl(2-phenylethyl)amino]butan-2-one?
1-[tert-butyl(2-phenylethyl)amino]butan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(2-phenylethyl)amino]butan-2-one is sourced from PubChem (CID 71046524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).