[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate

C22H26N2O5 — CID 8579079

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C22H26N2O5/c1-3-24(4-2)22(27)17-9-8-10-18(15-17)23-20(25)16-29-21(26)13-14-28-19-11-6-5-7-12-19/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,23,25)
InChIKeyGDKCWVCFRGVMNR-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.12
Rot. Bonds10

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 8579079) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
PubChem CID8579079
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C22H26N2O5/c1-3-24(4-2)22(27)17-9-8-10-18(15-17)23-20(25)16-29-21(26)13-14-28-19-11-6-5-7-12-19/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,23,25)
InChIKeyGDKCWVCFRGVMNR-UHFFFAOYSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808978
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754906
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348351
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate (CID 8579079) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)CCOc2ccccc2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is GDKCWVCFRGVMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-24(4-2)22(27)17-9-8-10-18(15-17)23-20(25)16-29-21(26)13-14-28-19-11-6-5-7-12-19/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 398.46 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate is sourced from PubChem (CID 8579079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).