EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID70448975

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID70448975


InChI Key	WJLVDUQVYDVHDC-UHFFFAOYSA-N
Smiles	CCN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)CC
InChI	InChI=1S/C19H24N2O/c1-5-20(3)17-11-7-15(8-12-17)19(22)16-9-13-18(14-10-16)21(4)6-2/h7-14H,5-6H2,1-4H3

InChI Key

WJLVDUQVYDVHDC-UHFFFAOYSA-N

Smiles

CCN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)CC

InChI

InChI=1S/C19H24N2O/c1-5-20(3)17-11-7-15(8-12-17)19(22)16-9-13-18(14-10-16)21(4)6-2/h7-14H,5-6H2,1-4H3

Property Name	Value
Molecular Formula	C19H24N2O
Molecular Weight	296.19
AlogP	3.83
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	23.55
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H24N2O

Molecular Weight

296.19

AlogP

3.83

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

23.55

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	194655-98-6
NORMAN SUSDAT
PubChem	10935343

Resources

Reference

CAS NUMBER

194655-98-6

NORMAN SUSDAT

PubChem

10935343

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

4,4'-BIS(METHYLETHYLAMINO)BENZOPHENONE

Structure

Physicochemical Descriptors

Cross References