3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide

C17H23NO3 — CID 58655161

IUPAC3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide
SMILESC#CC(C)Oc1ccc(CCC(=O)NCC)cc1OCC
InChIInChI=1S/C17H23NO3/c1-5-13(4)21-15-10-8-14(12-16(15)20-7-3)9-11-17(19)18-6-2/h1,8,10,12-13H,6-7,9,11H2,2-4H3,(H,18,19)
InChIKeyLWRWAHMDHUNFTD-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.55
Rot. Bonds8

About 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide

3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide (PubChem CID 58655161) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide
PubChem CID58655161
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide
SMILESC#CC(C)Oc1ccc(CCC(=O)NCC)cc1OCC
InChIInChI=1S/C17H23NO3/c1-5-13(4)21-15-10-8-14(12-16(15)20-7-3)9-11-17(19)18-6-2/h1,8,10,12-13H,6-7,9,11H2,2-4H3,(H,18,19)
InChIKeyLWRWAHMDHUNFTD-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide 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

3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide
CID 58655109
N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanamide
CID 142980584
methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
CID 82186161
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100527332

Frequently Asked Questions

What is the IUPAC name of 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide?
The IUPAC name of 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide (CID 58655161) is 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide is C#CC(C)Oc1ccc(CCC(=O)NCC)cc1OCC.
What is the InChIKey of 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide?
The InChIKey is LWRWAHMDHUNFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-13(4)21-15-10-8-14(12-16(15)20-7-3)9-11-17(19)18-6-2/h1,8,10,12-13H,6-7,9,11H2,2-4H3,(H,18,19).
What are the key properties of 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide?
3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 58655161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).