[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

C23H28N2O4 — CID 8568240

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C23H28N2O4/c1-5-25(6-2)21(27)17-11-10-14-19(15-17)24-20(26)16-29-22(28)23(3,4)18-12-8-7-9-13-18/h7-15H,5-6,16H2,1-4H3,(H,24,26)
InChIKeyTZVLRRDKLXGVOT-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.63
Rot. Bonds8

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 8568240) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID8568240
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)c1
InChIInChI=1S/C23H28N2O4/c1-5-25(6-2)21(27)17-11-10-14-19(15-17)24-20(26)16-29-22(28)23(3,4)18-12-8-7-9-13-18/h7-15H,5-6,16H2,1-4H3,(H,24,26)
InChIKeyTZVLRRDKLXGVOT-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568243
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
CID 120587025
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348351
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
4-O-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015295
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290674
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289521
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 9009066
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27804161

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 8568240) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate is CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)C(C)(C)c2ccccc2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is TZVLRRDKLXGVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-25(6-2)21(27)17-11-10-14-19(15-17)24-20(26)16-29-22(28)23(3,4)18-12-8-7-9-13-18/h7-15H,5-6,16H2,1-4H3,(H,24,26).
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 396.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 8568240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).