N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide

C20H24N2O2 — CID 54825918

IUPACN-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)13-24-19-8-6-5-7-18(19)21-12-20(23)22-17-10-9-15(3)16(4)11-17/h5-11,21H,1,12-13H2,2-4H3,(H,22,23)
InChIKeyXQAXFOGXAMOPFX-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.31
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide

N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54825918) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54825918
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)13-24-19-8-6-5-7-18(19)21-12-20(23)22-17-10-9-15(3)16(4)11-17/h5-11,21H,1,12-13H2,2-4H3,(H,22,23)
InChIKeyXQAXFOGXAMOPFX-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825984
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
2-(3,4-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113230
2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827380
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (CID 54825918) is N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1ccccc1NCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is XQAXFOGXAMOPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)13-24-19-8-6-5-7-18(19)21-12-20(23)22-17-10-9-15(3)16(4)11-17/h5-11,21H,1,12-13H2,2-4H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide has a molecular weight of 324.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54825918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).