[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate

C19H20N2O4 — CID 2353550

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-16(13-6-4-3-5-7-13)19(24)25-12-17(22)21-15-10-8-14(9-11-15)18(20)23/h3-11,16H,2,12H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPQGBSYKADXVPSS-INIZCTEOSA-N
MW340.38 g/mol
LogP2.46
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate

[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate (PubChem CID 2353550) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
PubChem CID2353550
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-16(13-6-4-3-5-7-13)19(24)25-12-17(22)21-15-10-8-14(9-11-15)18(20)23/h3-11,16H,2,12H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyPQGBSYKADXVPSS-INIZCTEOSA-N
XLogP2.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4649924
[2-(4-nitroanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8759015
[2-(3-bromoanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2336027
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811085
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
[2-(4-carbamoylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617290
4-(4-carbamoylanilino)-4-oxo-2-phenylbutanoic acid
CID 42930491
(phenylcarbamoylamino) 2-phenylbutanoate
CID 87787632
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
[2-(2-acetylanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3676896
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 18207921

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate (CID 2353550) is [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate is CC[C@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate?
The InChIKey is PQGBSYKADXVPSS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-16(13-6-4-3-5-7-13)19(24)25-12-17(22)21-15-10-8-14(9-11-15)18(20)23/h3-11,16H,2,12H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate has a molecular weight of 340.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate is sourced from PubChem (CID 2353550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).