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

C20H22N2O6 — CID 9438402

IUPAC2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C20H22N2O6/c1-22(11-19(24)21-15-5-7-16(26-2)8-6-15)20(25)13-28-17-9-4-14(12-23)10-18(17)27-3/h4-10,12H,11,13H2,1-3H3,(H,21,24)
InChIKeyOPCWALCXGJQPBB-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.99
Rot. Bonds9

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

2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9438402) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9438402
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C20H22N2O6/c1-22(11-19(24)21-15-5-7-16(26-2)8-6-15)20(25)13-28-17-9-4-14(12-23)10-18(17)27-3/h4-10,12H,11,13H2,1-3H3,(H,21,24)
InChIKeyOPCWALCXGJQPBB-UHFFFAOYSA-N
XLogP1.99
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7612189
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
N-(3-methoxyphenyl)-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-methylamino]acetamide
CID 18170716
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8501359
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 27793346
N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7612096
2-(4-formyl-2-methoxyphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 7894150
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168534931

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 9438402) is 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C=O)cc2OC)cc1.
What is the InChIKey of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is OPCWALCXGJQPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-22(11-19(24)21-15-5-7-16(26-2)8-6-15)20(25)13-28-17-9-4-14(12-23)10-18(17)27-3/h4-10,12H,11,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 386.40 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9438402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).