3-(4-acetylanilino)-1-phenylpropan-1-one

C17H17NO2 — CID 877491

IUPAC3-(4-acetylanilino)-1-phenylpropan-1-one
SMILESCC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-13(19)14-7-9-16(10-8-14)18-12-11-17(20)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3
InChIKeyMIVYAZFQSZOXAK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.57
Rot. Bonds6

About 3-(4-acetylanilino)-1-phenylpropan-1-one

3-(4-acetylanilino)-1-phenylpropan-1-one (PubChem CID 877491) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(4-acetylanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-acetylanilino)-1-phenylpropan-1-one
PubChem CID877491
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(4-acetylanilino)-1-phenylpropan-1-one
SMILESCC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-13(19)14-7-9-16(10-8-14)18-12-11-17(20)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3
InChIKeyMIVYAZFQSZOXAK-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-acetylanilino)-1-phenylpropan-1-one (CID 877491) is 3-(4-acetylanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-acetylanilino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-acetylanilino)-1-phenylpropan-1-one is CC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-acetylanilino)-1-phenylpropan-1-one?
The InChIKey is MIVYAZFQSZOXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(19)14-7-9-16(10-8-14)18-12-11-17(20)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3.
What are the key properties of 3-(4-acetylanilino)-1-phenylpropan-1-one?
3-(4-acetylanilino)-1-phenylpropan-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 877491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).