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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Related Compounds

2,2,2-trifluoro-1-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]ethanone
CID 90161708
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
CID 175081010
N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
CID 157179618
1-[4-(N-[4-[4-(N-(4-acetylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-[4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]ethanone
CID 158455123
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
3-methyl-1-[4-(N-phenylanilino)phenyl]but-2-en-1-one
CID 146008386
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819

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).