[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate

C19H20N2O4 — CID 2674912

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-12-9-10-13(2)15(11-12)18(23)25-16(14-7-5-4-6-8-14)17(22)21-19(24)20-3/h4-11,16H,1-3H3,(H2,20,21,22,24)/t16-/m1/s1
InChIKeyXAWUHASIURMEQC-MRXNPFEDSA-N
MW340.38 g/mol
LogP2.66
Rot. Bonds4

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate (PubChem CID 2674912) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
PubChem CID2674912
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-12-9-10-13(2)15(11-12)18(23)25-16(14-7-5-4-6-8-14)17(22)21-19(24)20-3/h4-11,16H,1-3H3,(H2,20,21,22,24)/t16-/m1/s1
InChIKeyXAWUHASIURMEQC-MRXNPFEDSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535106
(2-amino-2-oxo-1-phenylethyl) 2,5-dimethylbenzoate
CID 42886743
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethylbenzoate
CID 8647828
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 46644601
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927180
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 2674891
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603264
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187582
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7213113
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate (CID 2674912) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate is CNC(=O)NC(=O)[C@H](OC(=O)c1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate?
The InChIKey is XAWUHASIURMEQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-9-10-13(2)15(11-12)18(23)25-16(14-7-5-4-6-8-14)17(22)21-19(24)20-3/h4-11,16H,1-3H3,(H2,20,21,22,24)/t16-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2674912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).