[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate

C19H20N2O5 — CID 40661947

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-12(19(24)21-15-9-7-13(8-10-15)18(20)23)26-17(22)11-14-5-3-4-6-16(14)25-2/h3-10,12H,11H2,1-2H3,(H2,20,23)(H,21,24)/t12-/m1/s1
InChIKeyVKKWQMBOPTZRGM-GFCCVEGCSA-N
MW356.38 g/mol
LogP1.91
Rot. Bonds7

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate (PubChem CID 40661947) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
PubChem CID40661947
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-12(19(24)21-15-9-7-13(8-10-15)18(20)23)26-17(22)11-14-5-3-4-6-16(14)25-2/h3-10,12H,11H2,1-2H3,(H2,20,23)(H,21,24)/t12-/m1/s1
InChIKeyVKKWQMBOPTZRGM-GFCCVEGCSA-N
XLogP1.91
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 7796305
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766423
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886117
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)acetate
CID 8765865
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886294
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8596984
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 25161608
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316402
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 9455625

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate (CID 40661947) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The InChIKey is VKKWQMBOPTZRGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12(19(24)21-15-9-7-13(8-10-15)18(20)23)26-17(22)11-14-5-3-4-6-16(14)25-2/h3-10,12H,11H2,1-2H3,(H2,20,23)(H,21,24)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate has a molecular weight of 356.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 40661947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).