N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C20H21NO4 — CID 18168528

IUPACN-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2C(C)=O)c(OC)c1
InChIInChI=1S/C20H21NO4/c1-4-7-15-10-11-18(19(12-15)24-3)25-13-20(23)21-17-9-6-5-8-16(17)14(2)22/h4-6,8-12H,1,7,13H2,2-3H3,(H,21,23)
InChIKeyKMNHRVBQUQTZND-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.64
Rot. Bonds8

About N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 18168528) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID18168528
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2C(C)=O)c(OC)c1
InChIInChI=1S/C20H21NO4/c1-4-7-15-10-11-18(19(12-15)24-3)25-13-20(23)21-17-9-6-5-8-16(17)14(2)22/h4-6,8-12H,1,7,13H2,2-3H3,(H,21,23)
InChIKeyKMNHRVBQUQTZND-UHFFFAOYSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 47005052
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 38760499
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78799662
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
CID 38798639
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753461
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 18168528) is N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2ccccc2C(C)=O)c(OC)c1.
What is the InChIKey of N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is KMNHRVBQUQTZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-7-15-10-11-18(19(12-15)24-3)25-13-20(23)21-17-9-6-5-8-16(17)14(2)22/h4-6,8-12H,1,7,13H2,2-3H3,(H,21,23).
What are the key properties of N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 339.39 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 18168528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).