4-[(dibenzylamino)methyl]chromen-2-one

C24H21NO2 — CID 51359931

IUPAC4-[(dibenzylamino)methyl]chromen-2-one
SMILESO=c1cc(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc2o1
InChIInChI=1S/C24H21NO2/c26-24-15-21(22-13-7-8-14-23(22)27-24)18-25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-15H,16-18H2
InChIKeyPEEKMBOZPKILFP-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.00
Rot. Bonds6

About 4-[(dibenzylamino)methyl]chromen-2-one

4-[(dibenzylamino)methyl]chromen-2-one (PubChem CID 51359931) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[(dibenzylamino)methyl]chromen-2-one.

Molecular Properties

Compound Name4-[(dibenzylamino)methyl]chromen-2-one
PubChem CID51359931
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name4-[(dibenzylamino)methyl]chromen-2-one
SMILESO=c1cc(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc2o1
InChIInChI=1S/C24H21NO2/c26-24-15-21(22-13-7-8-14-23(22)27-24)18-25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-15H,16-18H2
InChIKeyPEEKMBOZPKILFP-UHFFFAOYSA-N
XLogP5.00
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(dibenzylamino)methyl]chromen-2-one?
The IUPAC name of 4-[(dibenzylamino)methyl]chromen-2-one (CID 51359931) is 4-[(dibenzylamino)methyl]chromen-2-one.
What is the SMILES notation for 4-[(dibenzylamino)methyl]chromen-2-one?
The canonical SMILES for 4-[(dibenzylamino)methyl]chromen-2-one is O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc2o1.
What is the InChIKey of 4-[(dibenzylamino)methyl]chromen-2-one?
The InChIKey is PEEKMBOZPKILFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c26-24-15-21(22-13-7-8-14-23(22)27-24)18-25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-15H,16-18H2.
What are the key properties of 4-[(dibenzylamino)methyl]chromen-2-one?
4-[(dibenzylamino)methyl]chromen-2-one has a molecular weight of 355.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibenzylamino)methyl]chromen-2-one is sourced from PubChem (CID 51359931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).