2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one

C23H23NO — CID 86015033

IUPAC2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)22(25)18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyNNVLRMGGDBTSKS-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.39
Rot. Bonds4

About 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one

2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one (PubChem CID 86015033) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
PubChem CID86015033
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO/c1-23(2,3)22(25)18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyNNVLRMGGDBTSKS-UHFFFAOYSA-N
XLogP6.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one (CID 86015033) is 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one is CC(C)(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one?
The InChIKey is NNVLRMGGDBTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-23(2,3)22(25)18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one?
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one has a molecular weight of 329.44 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one is sourced from PubChem (CID 86015033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).