2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide

C20H24N2O2 — CID 54825753

IUPAC2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)14-24-19-12-8-7-11-18(19)21-13-20(23)22-16(3)17-9-5-4-6-10-17/h4-12,16,21H,1,13-14H2,2-3H3,(H,22,23)
InChIKeyXQXLEIWFDUHSON-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.93
Rot. Bonds8

About 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide

2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide (PubChem CID 54825753) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide
PubChem CID54825753
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)14-24-19-12-8-7-11-18(19)21-13-20(23)22-16(3)17-9-5-4-6-10-17/h4-12,16,21H,1,13-14H2,2-3H3,(H,22,23)
InChIKeyXQXLEIWFDUHSON-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.93
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-(1-phenylpropyl)acetamide
CID 54825728
3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
N-butyl-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825887
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825892
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822255

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide (CID 54825753) is 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide is C=C(C)COc1ccccc1NCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide?
The InChIKey is XQXLEIWFDUHSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)14-24-19-12-8-7-11-18(19)21-13-20(23)22-16(3)17-9-5-4-6-10-17/h4-12,16,21H,1,13-14H2,2-3H3,(H,22,23).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide?
2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)anilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 54825753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).