1-[2-(dibenzylamino)phenyl]propan-1-one

C23H23NO — CID 174718965

IUPAC1-[2-(dibenzylamino)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO/c1-2-23(25)21-15-9-10-16-22(21)24(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyFROQPMAABMNNIY-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.49
Rot. Bonds7

About 1-[2-(dibenzylamino)phenyl]propan-1-one

1-[2-(dibenzylamino)phenyl]propan-1-one (PubChem CID 174718965) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(dibenzylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(dibenzylamino)phenyl]propan-1-one
PubChem CID174718965
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1-[2-(dibenzylamino)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO/c1-2-23(25)21-15-9-10-16-22(21)24(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyFROQPMAABMNNIY-UHFFFAOYSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
CID 112677258
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336
1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
CID 115994566
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001
1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one
CID 112677495
methyl 2-amino-3-[benzyl(ethyl)amino]benzoate
CID 115544694
1-(2-benzylsulfanylphenyl)propan-1-one
CID 112677640
5-amino-2-[benzyl(ethyl)amino]benzamide
CID 61307466
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
3-(N-benzyl-2-ethylanilino)-2-methylpropanoic acid
CID 82317319
3-(N-methyl-2-propanoylanilino)propanenitrile
CID 112677271
2-(N-methyl-2-propanoylanilino)benzonitrile
CID 115994661

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibenzylamino)phenyl]propan-1-one?
The IUPAC name of 1-[2-(dibenzylamino)phenyl]propan-1-one (CID 174718965) is 1-[2-(dibenzylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(dibenzylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(dibenzylamino)phenyl]propan-1-one is CCC(=O)c1ccccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-[2-(dibenzylamino)phenyl]propan-1-one?
The InChIKey is FROQPMAABMNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-23(25)21-15-9-10-16-22(21)24(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3.
What are the key properties of 1-[2-(dibenzylamino)phenyl]propan-1-one?
1-[2-(dibenzylamino)phenyl]propan-1-one has a molecular weight of 329.44 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibenzylamino)phenyl]propan-1-one is sourced from PubChem (CID 174718965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).