3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one

C19H23NO — CID 46232282

IUPAC3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)20(15-17-9-5-3-6-10-17)14-13-19(21)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeySVXVUIZOLQXKLL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.17
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one

3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one (PubChem CID 46232282) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one
PubChem CID46232282
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)20(15-17-9-5-3-6-10-17)14-13-19(21)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
InChIKeySVXVUIZOLQXKLL-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one (CID 46232282) is 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one is CC(C)N(CCC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one?
The InChIKey is SVXVUIZOLQXKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(2)20(15-17-9-5-3-6-10-17)14-13-19(21)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one?
3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 46232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).