[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate

C20H22N2O4 — CID 7043065

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-22(2)20(25)16-9-11-17(12-10-16)21-18(23)14-26-19(24)13-8-15-6-4-3-5-7-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,21,23)
InChIKeyCLPBVADCXBMVPL-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.50
Rot. Bonds7

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 7043065) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID7043065
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-22(2)20(25)16-9-11-17(12-10-16)21-18(23)14-26-19(24)13-8-15-6-4-3-5-7-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,21,23)
InChIKeyCLPBVADCXBMVPL-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672080
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 54795591
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887651
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609973
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554889
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate (CID 7043065) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is CLPBVADCXBMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22(2)20(25)16-9-11-17(12-10-16)21-18(23)14-26-19(24)13-8-15-6-4-3-5-7-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,21,23).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 354.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 7043065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).