[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

C25H32N2O4 — CID 7773176

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C25H32N2O4/c1-5-18(4)23(19-11-9-8-10-12-19)25(30)31-17-22(28)26-21-15-13-20(14-16-21)24(29)27(6-2)7-3/h8-16,18,23H,5-7,17H2,1-4H3,(H,26,28)/t18-,23-/m1/s1
InChIKeyXFMDTWKBVTXBRG-WZONZLPQSA-N
MW424.54 g/mol
LogP4.48
Rot. Bonds10

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (PubChem CID 7773176) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
PubChem CID7773176
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C25H32N2O4/c1-5-18(4)23(19-11-9-8-10-12-19)25(30)31-17-22(28)26-21-15-13-20(14-16-21)24(29)27(6-2)7-3/h8-16,18,23H,5-7,17H2,1-4H3,(H,26,28)/t18-,23-/m1/s1
InChIKeyXFMDTWKBVTXBRG-WZONZLPQSA-N
XLogP4.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772639
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772394
[2-(4-nitroanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773210
[2-(4-nitroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7773214
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773154
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (CID 7773176) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The InChIKey is XFMDTWKBVTXBRG-WZONZLPQSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-5-18(4)23(19-11-9-8-10-12-19)25(30)31-17-22(28)26-21-15-13-20(14-16-21)24(29)27(6-2)7-3/h8-16,18,23H,5-7,17H2,1-4H3,(H,26,28)/t18-,23-/m1/s1.
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate has a molecular weight of 424.54 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7773176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).