2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

C20H24N2O4 — CID 54814050

IUPAC2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)13-26-16-7-5-15(6-8-16)22-20(23)12-21-18-11-17(24-3)9-10-19(18)25-4/h5-11,21H,1,12-13H2,2-4H3,(H,22,23)
InChIKeyQZRDPEXNYIPCIS-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.71
Rot. Bonds9

About 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54814050) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54814050
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)13-26-16-7-5-15(6-8-16)22-20(23)12-21-18-11-17(24-3)9-10-19(18)25-4/h5-11,21H,1,12-13H2,2-4H3,(H,22,23)
InChIKeyQZRDPEXNYIPCIS-UHFFFAOYSA-N
XLogP3.71
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54819813
N-[4-(2,5-dimethoxyanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112987885
2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54814109
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447
N-(2,5-dimethoxyphenyl)-2-(4-propoxyanilino)acetamide
CID 54820345
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54814050) is 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccc(NC(=O)CNc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is QZRDPEXNYIPCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)13-26-16-7-5-15(6-8-16)22-20(23)12-21-18-11-17(24-3)9-10-19(18)25-4/h5-11,21H,1,12-13H2,2-4H3,(H,22,23).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54814050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).