[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate

C20H19NO7 — CID 7753461

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C=O)ccc1OCC(=O)OCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C20H19NO7/c1-13(23)15-5-3-4-6-16(15)21-19(24)11-28-20(25)12-27-17-8-7-14(10-22)9-18(17)26-2/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyPQRIQCMNYFARNR-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.27
Rot. Bonds9

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

[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate (PubChem CID 7753461) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
PubChem CID7753461
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C=O)ccc1OCC(=O)OCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C20H19NO7/c1-13(23)15-5-3-4-6-16(15)21-19(24)11-28-20(25)12-27-17-8-7-14(10-22)9-18(17)26-2/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyPQRIQCMNYFARNR-UHFFFAOYSA-N
XLogP2.27
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.27
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

ethyl 2-[[2-[2-(4-formyl-2-methoxyphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7753578
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753577
[2-(2-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907900
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 31127487
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907923
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide
CID 9340041
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753574
[2-(2-acetylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 2125651

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate (CID 7753461) is [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate is COc1cc(C=O)ccc1OCC(=O)OCC(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
The InChIKey is PQRIQCMNYFARNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-13(23)15-5-3-4-6-16(15)21-19(24)11-28-20(25)12-27-17-8-7-14(10-22)9-18(17)26-2/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate?
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate has a molecular weight of 385.37 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 7753461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).