2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide

C25H26N2O3 — CID 54825790

IUPAC2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-19(2)17-29-23-14-8-6-12-21(23)26-16-25(28)27-22-13-7-9-15-24(22)30-18-20-10-4-3-5-11-20/h3-15,26H,1,16-18H2,2H3,(H,27,28)
InChIKeyZHSPKPXZMGJVSB-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.27
Rot. Bonds10

About 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide

2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide (PubChem CID 54825790) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
PubChem CID54825790
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-19(2)17-29-23-14-8-6-12-21(23)26-16-25(28)27-22-13-7-9-15-24(22)30-18-20-10-4-3-5-11-20/h3-15,26H,1,16-18H2,2H3,(H,27,28)
InChIKeyZHSPKPXZMGJVSB-UHFFFAOYSA-N
XLogP5.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.27
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

N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827988
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823642
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
N-(2,6-dimethylphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827756
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816643

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide (CID 54825790) is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide is C=C(C)COc1ccccc1NCC(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
The InChIKey is ZHSPKPXZMGJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-19(2)17-29-23-14-8-6-12-21(23)26-16-25(28)27-22-13-7-9-15-24(22)30-18-20-10-4-3-5-11-20/h3-15,26H,1,16-18H2,2H3,(H,27,28).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 5.27, 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-(2-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 54825790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).