1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one

C20H25NO — CID 70849636

IUPAC1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one
SMILESCC(=O)CN(CC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H25NO/c1-16(2)21(14-17(3)22)15-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3
InChIKeyOMSKZPKEVGVFOK-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.12
Rot. Bonds7

About 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one

1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one (PubChem CID 70849636) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one
PubChem CID70849636
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one
SMILESCC(=O)CN(CC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H25NO/c1-16(2)21(14-17(3)22)15-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3
InChIKeyOMSKZPKEVGVFOK-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one?
The IUPAC name of 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one (CID 70849636) is 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one is CC(=O)CN(CC(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one?
The InChIKey is OMSKZPKEVGVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16(2)21(14-17(3)22)15-20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3.
What are the key properties of 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one?
1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one has a molecular weight of 295.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one is sourced from PubChem (CID 70849636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).