[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate

C20H21NO7 — CID 7753590

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)COc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C20H21NO7/c1-25-16-6-3-14(4-7-16)10-21-19(23)12-28-20(24)13-27-17-8-5-15(11-22)9-18(17)26-2/h3-9,11H,10,12-13H2,1-2H3,(H,21,23)
InChIKeyXUFADZOZGMWORO-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.75
Rot. Bonds10

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate (PubChem CID 7753590) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
PubChem CID7753590
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)COc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C20H21NO7/c1-25-16-6-3-14(4-7-16)10-21-19(23)12-28-20(24)13-27-17-8-5-15(11-22)9-18(17)26-2/h3-9,11H,10,12-13H2,1-2H3,(H,21,23)
InChIKeyXUFADZOZGMWORO-UHFFFAOYSA-N
XLogP1.75
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 41051814
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234856
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 8988337
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753577
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate (CID 7753590) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate is COc1ccc(CNC(=O)COC(=O)COc2ccc(C=O)cc2OC)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
The InChIKey is XUFADZOZGMWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-25-16-6-3-14(4-7-16)10-21-19(23)12-28-20(24)13-27-17-8-5-15(11-22)9-18(17)26-2/h3-9,11H,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate has a molecular weight of 387.39 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 7753590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).