4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide

C14H18N2O2 — CID 170473957

IUPAC4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
SMILESCN(C)CCOc1ccc(C#CCC(N)=O)cc1
InChIInChI=1S/C14H18N2O2/c1-16(2)10-11-18-13-8-6-12(7-9-13)4-3-5-14(15)17/h6-9H,5,10-11H2,1-2H3,(H2,15,17)
InChIKeyLHSIJRNWJMZLPP-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.85
Rot. Bonds5

About 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide

4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide (PubChem CID 170473957) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
PubChem CID170473957
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
SMILESCN(C)CCOc1ccc(C#CCC(N)=O)cc1
InChIInChI=1S/C14H18N2O2/c1-16(2)10-11-18-13-8-6-12(7-9-13)4-3-5-14(15)17/h6-9H,5,10-11H2,1-2H3,(H2,15,17)
InChIKeyLHSIJRNWJMZLPP-UHFFFAOYSA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide 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

methyl 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynoate
CID 170470382
4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
CID 170474044
[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
CID 171661609
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide
CID 103104040
4-[4-(methoxymethyl)phenyl]but-3-ynamide
CID 170472949
[4-[2-(dimethylamino)ethoxy]anilino]urea
CID 144637882
3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 54970283
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549
2-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 141367169
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-(3,5-dimethoxyphenyl)but-3-ynamide
CID 170473319

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide (CID 170473957) is 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide is CN(C)CCOc1ccc(C#CCC(N)=O)cc1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide?
The InChIKey is LHSIJRNWJMZLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(2)10-11-18-13-8-6-12(7-9-13)4-3-5-14(15)17/h6-9H,5,10-11H2,1-2H3,(H2,15,17).
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide?
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide has a molecular weight of 246.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide is sourced from PubChem (CID 170473957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).