[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate

C19H20N2O6 — CID 2674891

IUPAC[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C19H20N2O6/c1-20-19(24)21-17(22)16(12-7-5-4-6-8-12)27-18(23)14-10-9-13(25-2)11-15(14)26-3/h4-11,16H,1-3H3,(H2,20,21,22,24)/t16-/m0/s1
InChIKeyOQVINPHUNIFKOE-INIZCTEOSA-N
MW372.38 g/mol
LogP2.06
Rot. Bonds6

About [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate (PubChem CID 2674891) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
PubChem CID2674891
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C19H20N2O6/c1-20-19(24)21-17(22)16(12-7-5-4-6-8-12)27-18(23)14-10-9-13(25-2)11-15(14)26-3/h4-11,16H,1-3H3,(H2,20,21,22,24)/t16-/m0/s1
InChIKeyOQVINPHUNIFKOE-INIZCTEOSA-N
XLogP2.06
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7832619
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 42963212
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-fluoro-4-methoxybenzoate
CID 7523142
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 2674912
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-hydroxy-5-methoxybenzoate
CID 33278355
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7775281
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methoxyphenyl)acetate
CID 7840289
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927180
[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504725

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate (CID 2674891) is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate is CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(OC)cc1OC)c1ccccc1.
What is the InChIKey of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The InChIKey is OQVINPHUNIFKOE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-20-19(24)21-17(22)16(12-7-5-4-6-8-12)27-18(23)14-10-9-13(25-2)11-15(14)26-3/h4-11,16H,1-3H3,(H2,20,21,22,24)/t16-/m0/s1.
What are the key properties of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate has a molecular weight of 372.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2674891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).