2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide

C20H22N2O5 — CID 7612189

IUPAC2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22N2O5/c1-14-4-7-16(8-5-14)21-19(24)11-22(2)20(25)13-27-18-10-15(12-23)6-9-17(18)26-3/h4-10,12H,11,13H2,1-3H3,(H,21,24)
InChIKeyHSTQAWWYSFZYQW-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.29
Rot. Bonds8

About 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 7612189) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID7612189
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22N2O5/c1-14-4-7-16(8-5-14)21-19(24)11-22(2)20(25)13-27-18-10-15(12-23)6-9-17(18)26-3/h4-10,12H,11,13H2,1-3H3,(H,21,24)
InChIKeyHSTQAWWYSFZYQW-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438402
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9493413
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2571968
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7612096
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8563671

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 7612189) is 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide is COc1ccc(C=O)cc1OCC(=O)N(C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is HSTQAWWYSFZYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14-4-7-16(8-5-14)21-19(24)11-22(2)20(25)13-27-18-10-15(12-23)6-9-17(18)26-3/h4-10,12H,11,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7612189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).