N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C20H19NO3 — CID 30779256

IUPACN-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC#Cc1cccc(NC(=O)COc2ccc(CC=C)cc2OC)c1
InChIInChI=1S/C20H19NO3/c1-4-7-16-10-11-18(19(13-16)23-3)24-14-20(22)21-17-9-6-8-15(5-2)12-17/h2,4,6,8-13H,1,7,14H2,3H3,(H,21,22)
InChIKeyIJTQSWCNQXWICS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.42
Rot. Bonds7

About N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 30779256) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID30779256
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC#Cc1cccc(NC(=O)COc2ccc(CC=C)cc2OC)c1
InChIInChI=1S/C20H19NO3/c1-4-7-16-10-11-18(19(13-16)23-3)24-14-20(22)21-17-9-6-8-15(5-2)12-17/h2,4,6,8-13H,1,7,14H2,3H3,(H,21,22)
InChIKeyIJTQSWCNQXWICS-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.42
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-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide 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

2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 51949265
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 47005052
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804200
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 30779256) is N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C#Cc1cccc(NC(=O)COc2ccc(CC=C)cc2OC)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is IJTQSWCNQXWICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-4-7-16-10-11-18(19(13-16)23-3)24-14-20(22)21-17-9-6-8-15(5-2)12-17/h2,4,6,8-13H,1,7,14H2,3H3,(H,21,22).
What are the key properties of N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 30779256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).