N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide

C26H28N2O3 — CID 54823642

IUPACN-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-20(2)19-31-25-11-7-6-10-24(25)28-26(29)18-27-22-12-14-23(15-13-22)30-17-16-21-8-4-3-5-9-21/h3-15,27H,1,16-19H2,2H3,(H,28,29)
InChIKeyTVXKBUWXOREZRL-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.31
Rot. Bonds11

About N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide

N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide (PubChem CID 54823642) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
PubChem CID54823642
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-20(2)19-31-25-11-7-6-10-24(25)28-26(29)18-27-22-12-14-23(15-13-22)30-17-16-21-8-4-3-5-9-21/h3-15,27H,1,16-19H2,2H3,(H,28,29)
InChIKeyTVXKBUWXOREZRL-UHFFFAOYSA-N
XLogP5.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
2-(4-heptoxyanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54821930
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822255
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide (CID 54823642) is N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide is C=C(C)COc1ccccc1NC(=O)CNc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
The InChIKey is TVXKBUWXOREZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-20(2)19-31-25-11-7-6-10-24(25)28-26(29)18-27-22-12-14-23(15-13-22)30-17-16-21-8-4-3-5-9-21/h3-15,27H,1,16-19H2,2H3,(H,28,29).
What are the key properties of N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide has a molecular weight of 416.52 g/mol, XLogP of 5.31, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide is sourced from PubChem (CID 54823642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).