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

C20H24N2O3 — CID 54826557

IUPAC2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(OCC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-4-24-18-9-5-7-16(11-18)21-13-20(23)22-17-8-6-10-19(12-17)25-14-15(2)3/h5-12,21H,2,4,13-14H2,1,3H3,(H,22,23)
InChIKeyMUUZLFXTPFMZGQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.09
Rot. Bonds9

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

2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54826557) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54826557
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(OCC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-4-24-18-9-5-7-16(11-18)21-13-20(23)22-17-8-6-10-19(12-17)25-14-15(2)3/h5-12,21H,2,4,13-14H2,1,3H3,(H,22,23)
InChIKeyMUUZLFXTPFMZGQ-UHFFFAOYSA-N
XLogP4.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.09
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-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841190
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54819355

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54826557) is 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1cccc(NC(=O)CNc2cccc(OCC)c2)c1.
What is the InChIKey of 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is MUUZLFXTPFMZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-24-18-9-5-7-16(11-18)21-13-20(23)22-17-8-6-10-19(12-17)25-14-15(2)3/h5-12,21H,2,4,13-14H2,1,3H3,(H,22,23).
What are the key properties of 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54826557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).