2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide

C21H24N2O3 — CID 54825856

IUPAC2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2ccccc2OCC(=C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-4-13-25-18-11-9-17(10-12-18)23-21(24)14-22-19-7-5-6-8-20(19)26-15-16(2)3/h4-12,22H,1-2,13-15H2,3H3,(H,23,24)
InChIKeyJWMKQXBYFRBRMB-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.26
Rot. Bonds10

About 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide

2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 54825856) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID54825856
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2ccccc2OCC(=C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-4-13-25-18-11-9-17(10-12-18)23-21(24)14-22-19-7-5-6-8-20(19)26-15-16(2)3/h4-12,22H,1-2,13-15H2,3H3,(H,23,24)
InChIKeyJWMKQXBYFRBRMB-UHFFFAOYSA-N
XLogP4.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825984
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822255
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
2-(4-heptoxyanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54821930
N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823642
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide (CID 54825856) is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CNc2ccccc2OCC(=C)C)cc1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is JWMKQXBYFRBRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-13-25-18-11-9-17(10-12-18)23-21(24)14-22-19-7-5-6-8-20(19)26-15-16(2)3/h4-12,22H,1-2,13-15H2,3H3,(H,23,24).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide?
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54825856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).