2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C26H28N2O4 — CID 54826186

IUPAC2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-20(2)19-32-25-14-7-6-13-24(25)27-18-26(29)28-21-9-8-12-23(17-21)31-16-15-30-22-10-4-3-5-11-22/h3-14,17,27H,1,15-16,18-19H2,2H3,(H,28,29)
InChIKeyHFTMXFKANBEPBJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.15
Rot. Bonds12

About 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54826186) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54826186
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-20(2)19-32-25-14-7-6-13-24(25)27-18-26(29)28-21-9-8-12-23(17-21)31-16-15-30-22-10-4-3-5-11-22/h3-14,17,27H,1,15-16,18-19H2,2H3,(H,28,29)
InChIKeyHFTMXFKANBEPBJ-UHFFFAOYSA-N
XLogP5.15
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827380
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54811890
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54826186) is 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide is C=C(C)COc1ccccc1NCC(=O)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is HFTMXFKANBEPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-20(2)19-32-25-14-7-6-13-24(25)27-18-26(29)28-21-9-8-12-23(17-21)31-16-15-30-22-10-4-3-5-11-22/h3-14,17,27H,1,15-16,18-19H2,2H3,(H,28,29).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 5.15, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54826186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).