2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C21H26N2O4 — CID 9094951

IUPAC2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O4/c1-5-23(13-20(24)22-17-7-10-18(26-4)11-8-17)21(25)14-27-19-9-6-15(2)16(3)12-19/h6-12H,5,13-14H2,1-4H3,(H,22,24)
InChIKeySCKNIIOYTSNELT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.18
Rot. Bonds8

About 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9094951) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9094951
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O4/c1-5-23(13-20(24)22-17-7-10-18(26-4)11-8-17)21(25)14-27-19-9-6-15(2)16(3)12-19/h6-12H,5,13-14H2,1-4H3,(H,22,24)
InChIKeySCKNIIOYTSNELT-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 25314167
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 34778386
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
N-(4-acetamidophenyl)-2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]acetamide
CID 4968357
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)acetamide
CID 71844311
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 9094951) is 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is SCKNIIOYTSNELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-23(13-20(24)22-17-7-10-18(26-4)11-8-17)21(25)14-27-19-9-6-15(2)16(3)12-19/h6-12H,5,13-14H2,1-4H3,(H,22,24).
What are the key properties of 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9094951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).