2-(dimethylamino)ethyl 4-benzoylbenzoate

C18H19NO3 — CID 679954

IUPAC2-(dimethylamino)ethyl 4-benzoylbenzoate
SMILESCN(C)CCOC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-19(2)12-13-22-18(21)16-10-8-15(9-11-16)17(20)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyQNZXCTPKUNGIIY-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.64
Rot. Bonds6

About 2-(dimethylamino)ethyl 4-benzoylbenzoate

2-(dimethylamino)ethyl 4-benzoylbenzoate (PubChem CID 679954) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-benzoylbenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-benzoylbenzoate
PubChem CID679954
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(dimethylamino)ethyl 4-benzoylbenzoate
SMILESCN(C)CCOC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-19(2)12-13-22-18(21)16-10-8-15(9-11-16)17(20)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyQNZXCTPKUNGIIY-UHFFFAOYSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)ethyl 4-benzoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-benzoylbenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-benzoylbenzoate (CID 679954) is 2-(dimethylamino)ethyl 4-benzoylbenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-benzoylbenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-benzoylbenzoate is CN(C)CCOC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-benzoylbenzoate?
The InChIKey is QNZXCTPKUNGIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(2)12-13-22-18(21)16-10-8-15(9-11-16)17(20)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 4-benzoylbenzoate?
2-(dimethylamino)ethyl 4-benzoylbenzoate has a molecular weight of 297.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-benzoylbenzoate is sourced from PubChem (CID 679954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).