[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C21H23ClN2O5 — CID 8579572

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN2O5/c1-3-24(4-2)21(27)15-5-9-17(10-6-15)23-19(25)13-29-20(26)14-28-18-11-7-16(22)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQBXUYVUAMRGOQK-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.38
Rot. Bonds9

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 8579572) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID8579572
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN2O5/c1-3-24(4-2)21(27)15-5-9-17(10-6-15)23-19(25)13-29-20(26)14-28-18-11-7-16(22)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQBXUYVUAMRGOQK-UHFFFAOYSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 8579572) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is QBXUYVUAMRGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-3-24(4-2)21(27)15-5-9-17(10-6-15)23-19(25)13-29-20(26)14-28-18-11-7-16(22)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 418.88 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 8579572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).