Elucaine

C19H23NO2 — CID 32331

IUPAC[2-(diethylamino)-1-phenylethyl] benzoate
SMILESCCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
InChIInChI=1S/C19H23NO2/c1-3-20(4-2)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyAVXDZNOJIVOGRR-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.10
Rot. Bonds8

About Elucaine

Elucaine (PubChem CID 32331) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [2-(diethylamino)-1-phenylethyl] benzoate.

Molecular Properties

Compound NameElucaine
PubChem CID32331
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[2-(diethylamino)-1-phenylethyl] benzoate
SMILESCCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
InChIInChI=1S/C19H23NO2/c1-3-20(4-2)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyAVXDZNOJIVOGRR-UHFFFAOYSA-N
XLogP4.10
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity315

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze Elucaine with MolForge

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

Launch Full Analysis

Related Compounds

Benfluorex
CID 2318
Hexylcaine
CID 10770
Benfluorex hydrochloride
CID 198015
Eprazinone
CID 3245
Fenbutrazate
CID 20395
Amylocaine
CID 10767
Hexylcaine Hydrochloride
CID 102426
Meprylcaine
CID 4065
8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, benzoate (ester), endo-
CID 637578
Amyleine hydrochloride
CID 10766
Benzoclidine
CID 65630
Piperocaine Hydrochloride
CID 10781

Frequently Asked Questions

What is the IUPAC name of Elucaine?
The IUPAC name of Elucaine (CID 32331) is [2-(diethylamino)-1-phenylethyl] benzoate.
What is the SMILES notation for Elucaine?
The canonical SMILES for Elucaine is CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.
What is the InChIKey of Elucaine?
The InChIKey is AVXDZNOJIVOGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-20(4-2)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3.
What are the key properties of Elucaine?
Elucaine has a molecular weight of 297.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Elucaine is sourced from PubChem (CID 32331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).