[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C19H19ClN2O5 — CID 27213272

IUPAC[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H19ClN2O5/c1-12-3-6-15(9-13(12)2)21-19(25)22-17(23)10-27-18(24)11-26-16-7-4-14(20)5-8-16/h3-9H,10-11H2,1-2H3,(H2,21,22,23,25)
InChIKeyQUCLSUKWVOBKTC-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.23
Rot. Bonds6

About [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 27213272) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID27213272
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H19ClN2O5/c1-12-3-6-15(9-13(12)2)21-19(25)22-17(23)10-27-18(24)11-26-16-7-4-14(20)5-8-16/h3-9H,10-11H2,1-2H3,(H2,21,22,23,25)
InChIKeyQUCLSUKWVOBKTC-UHFFFAOYSA-N
XLogP3.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16571065
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750488
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706651
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229414
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595886
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 1409597
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750926
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 27213272) is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is Cc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1C.
What is the InChIKey of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is QUCLSUKWVOBKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-12-3-6-15(9-13(12)2)21-19(25)22-17(23)10-27-18(24)11-26-16-7-4-14(20)5-8-16/h3-9H,10-11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 390.82 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 27213272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).