N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide

C20H22N2O4 — CID 78761830

IUPACN-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C20H22N2O4/c1-3-16-6-4-5-7-18(16)21-19(24)12-22(2)20(25)14-26-17-10-8-15(13-23)9-11-17/h4-11,13H,3,12,14H2,1-2H3,(H,21,24)
InChIKeyPALJGOOKROKQFP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.54
Rot. Bonds8

About N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide

N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide (PubChem CID 78761830) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
PubChem CID78761830
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(C=O)cc1
InChIInChI=1S/C20H22N2O4/c1-3-16-6-4-5-7-18(16)21-19(24)12-22(2)20(25)14-26-17-10-8-15(13-23)9-11-17/h4-11,13H,3,12,14H2,1-2H3,(H,21,24)
InChIKeyPALJGOOKROKQFP-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521220
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791734
N-(2-ethylphenyl)-2-[[2-(3-fluorophenoxy)acetyl]-methylamino]acetamide
CID 8699564
N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761861
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
CID 7844933
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9428602
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 8699567
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8503379

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide (CID 78761830) is N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(C=O)cc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
The InChIKey is PALJGOOKROKQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-16-6-4-5-7-18(16)21-19(24)12-22(2)20(25)14-26-17-10-8-15(13-23)9-11-17/h4-11,13H,3,12,14H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide?
N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide is sourced from PubChem (CID 78761830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).