Skip to content

Dibucaine

C20H29N3O2 — CID 3025

💊View drug profile → cinchocaine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
InChIInChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKeyPUFQVTATUTYEAL-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.49
Rot. Bonds10

About Dibucaine

Dibucaine (PubChem CID 3025) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameDibucaine
PubChem CID3025
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
InChIInChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKeyPUFQVTATUTYEAL-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze Dibucaine 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

Dibucaine Hydrochloride
CID 521951
N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 10276473
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10387351
(3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methoxy)benzamido)-1-(prop-2-ynyl)pyrrolidine-3-carboxamide
CID 11753905

Frequently Asked Questions

What is the IUPAC name of Dibucaine?
The IUPAC name of Dibucaine (CID 3025) is 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for Dibucaine?
The canonical SMILES for Dibucaine is CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.
What is the InChIKey of Dibucaine?
The InChIKey is PUFQVTATUTYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24).
What are the key properties of Dibucaine?
Dibucaine has a molecular weight of 343.47 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Dibucaine is sourced from PubChem (CID 3025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: D · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.