[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

C20H20N2O6 — CID 8609973

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2C=O)cc1
InChIInChI=1S/C20H20N2O6/c1-22(2)20(26)14-7-9-16(10-8-14)21-18(24)12-28-19(25)13-27-17-6-4-3-5-15(17)11-23/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyNQAWVHTZGOKKDQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.76
Rot. Bonds8

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (PubChem CID 8609973) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
PubChem CID8609973
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2C=O)cc1
InChIInChI=1S/C20H20N2O6/c1-22(2)20(26)14-7-9-16(10-8-14)21-18(24)12-28-19(25)13-27-17-6-4-3-5-15(17)11-23/h3-11H,12-13H2,1-2H3,(H,21,24)
InChIKeyNQAWVHTZGOKKDQ-UHFFFAOYSA-N
XLogP1.76
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.76
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

4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609898
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7764243
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197712
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791225
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
methyl 2-(2-formylphenoxy)acetate
CID 5151625

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (CID 8609973) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2C=O)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The InChIKey is NQAWVHTZGOKKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-22(2)20(26)14-7-9-16(10-8-14)21-18(24)12-28-19(25)13-27-17-6-4-3-5-15(17)11-23/h3-11H,12-13H2,1-2H3,(H,21,24).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate has a molecular weight of 384.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 8609973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).