N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide

C16H19NO3 — CID 71802876

IUPACN-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
SMILESC=CCCC(=O)NCC#CCOc1ccccc1OC
InChIInChI=1S/C16H19NO3/c1-3-4-11-16(18)17-12-7-8-13-20-15-10-6-5-9-14(15)19-2/h3,5-6,9-10H,1,4,11-13H2,2H3,(H,17,18)
InChIKeyXKHDPDSTNBZOCU-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.16
Rot. Bonds7

About N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide

N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide (PubChem CID 71802876) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
PubChem CID71802876
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
SMILESC=CCCC(=O)NCC#CCOc1ccccc1OC
InChIInChI=1S/C16H19NO3/c1-3-4-11-16(18)17-12-7-8-13-20-15-10-6-5-9-14(15)19-2/h3,5-6,9-10H,1,4,11-13H2,2H3,(H,17,18)
InChIKeyXKHDPDSTNBZOCU-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide 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

N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3,3-dimethylbutanamide
CID 90575523
N-[4-(2-methoxyphenoxy)but-2-ynyl]but-2-enamide
CID 91939404
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
3-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
CID 17034572
2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575527
N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide
CID 90548876
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511
N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90575655
4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide (CID 71802876) is N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide is C=CCCC(=O)NCC#CCOc1ccccc1OC.
What is the InChIKey of N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide?
The InChIKey is XKHDPDSTNBZOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-4-11-16(18)17-12-7-8-13-20-15-10-6-5-9-14(15)19-2/h3,5-6,9-10H,1,4,11-13H2,2H3,(H,17,18).
What are the key properties of N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide?
N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide has a molecular weight of 273.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide is sourced from PubChem (CID 71802876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).