2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one

C24H21NO2 — CID 1361544

IUPAC2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one
SMILESCOc1ccc(C2=C(NCCc3ccccc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H21NO2/c1-27-19-13-11-18(12-14-19)22-23(20-9-5-6-10-21(20)24(22)26)25-16-15-17-7-3-2-4-8-17/h2-14,25H,15-16H2,1H3
InChIKeyOLPBUOQTVWXEQN-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.59
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one

2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one (PubChem CID 1361544) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one
PubChem CID1361544
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one
SMILESCOc1ccc(C2=C(NCCc3ccccc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H21NO2/c1-27-19-13-11-18(12-14-19)22-23(20-9-5-6-10-21(20)24(22)26)25-16-15-17-7-3-2-4-8-17/h2-14,25H,15-16H2,1H3
InChIKeyOLPBUOQTVWXEQN-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one (CID 1361544) is 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one is COc1ccc(C2=C(NCCc3ccccc3)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one?
The InChIKey is OLPBUOQTVWXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-19-13-11-18(12-14-19)22-23(20-9-5-6-10-21(20)24(22)26)25-16-15-17-7-3-2-4-8-17/h2-14,25H,15-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one?
2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one has a molecular weight of 355.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-phenylethylamino)inden-1-one is sourced from PubChem (CID 1361544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).