[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate

C19H20N2O5 — CID 7233387

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H20N2O5/c1-2-16(26-13-8-4-3-5-9-13)19(24)25-12-17(22)21-15-11-7-6-10-14(15)18(20)23/h3-11,16H,2,12H2,1H3,(H2,20,23)(H,21,22)/t16-/m1/s1
InChIKeyGEFPATMEKVAXGN-MRXNPFEDSA-N
MW356.38 g/mol
LogP2.12
Rot. Bonds8

About [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate

[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate (PubChem CID 7233387) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
PubChem CID7233387
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H20N2O5/c1-2-16(26-13-8-4-3-5-9-13)19(24)25-12-17(22)21-15-11-7-6-10-14(15)18(20)23/h3-11,16H,2,12H2,1H3,(H2,20,23)(H,21,22)/t16-/m1/s1
InChIKeyGEFPATMEKVAXGN-MRXNPFEDSA-N
XLogP2.12
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233343
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229792
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233309
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555744
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555743
2-[[(2S)-2-(4-ethylphenoxy)butanoyl]amino]benzamide
CID 99133167
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555759
ethyl 4-[[2-[(2S)-2-phenoxybutanoyl]oxyacetyl]amino]benzoate
CID 7233328
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate
CID 7229828

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate (CID 7233387) is [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate is CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The InChIKey is GEFPATMEKVAXGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-2-16(26-13-8-4-3-5-9-13)19(24)25-12-17(22)21-15-11-7-6-10-14(15)18(20)23/h3-11,16H,2,12H2,1H3,(H2,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate has a molecular weight of 356.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate is sourced from PubChem (CID 7233387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).