2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

C21H26N2O2 — CID 54819355

IUPAC2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2c(C)cccc2CC)c1
InChIInChI=1S/C21H26N2O2/c1-5-17-9-6-8-16(4)21(17)22-13-20(24)23-18-10-7-11-19(12-18)25-14-15(2)3/h6-12,22H,2,5,13-14H2,1,3-4H3,(H,23,24)
InChIKeyAZZPUHDKEWELDV-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.56
Rot. Bonds8

About 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54819355) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54819355
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2c(C)cccc2CC)c1
InChIInChI=1S/C21H26N2O2/c1-5-17-9-6-8-16(4)21(17)22-13-20(24)23-18-10-7-11-19(12-18)25-14-15(2)3/h6-12,22H,2,5,13-14H2,1,3-4H3,(H,23,24)
InChIKeyAZZPUHDKEWELDV-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.56
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-ethyl-6-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54819274
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
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-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
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
N-(3,4-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004358

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54819355) is 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1cccc(NC(=O)CNc2c(C)cccc2CC)c1.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is AZZPUHDKEWELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-17-9-6-8-16(4)21(17)22-13-20(24)23-18-10-7-11-19(12-18)25-14-15(2)3/h6-12,22H,2,5,13-14H2,1,3-4H3,(H,23,24).
What are the key properties of 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54819355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).