[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate

C17H15NO5 — CID 30929559

IUPAC[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
SMILESCOC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C17H15NO5/c1-22-17(21)14(11-5-3-2-4-6-11)23-16(20)13-9-7-12(8-10-13)15(18)19/h2-10,14H,1H3,(H2,18,19)/t14-/m0/s1
InChIKeyOXUGFPLFYWTLQY-AWEZNQCLSA-N
MW313.31 g/mol
LogP1.86
Rot. Bonds5

About [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate

[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate (PubChem CID 30929559) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate.

Molecular Properties

Compound Name[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
PubChem CID30929559
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
SMILESCOC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C17H15NO5/c1-22-17(21)14(11-5-3-2-4-6-11)23-16(20)13-9-7-12(8-10-13)15(18)19/h2-10,14H,1H3,(H2,18,19)/t14-/m0/s1
InChIKeyOXUGFPLFYWTLQY-AWEZNQCLSA-N
XLogP1.86
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 55359068
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
[1-(4-bromophenyl)-2-methoxy-2-oxoethyl] 4-(2-phenylethynyl)benzoate
CID 56963790
(2-methoxy-2-oxo-1-phenylethyl) 2-chlorobenzoate
CID 177426397
(2-methoxy-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 43023367
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
(2-oxo-2-phenoxy-1-phenylethyl) benzoate
CID 57212874
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
The IUPAC name of [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate (CID 30929559) is [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate.
What is the SMILES notation for [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
The canonical SMILES for [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate is COC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
The InChIKey is OXUGFPLFYWTLQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15NO5/c1-22-17(21)14(11-5-3-2-4-6-11)23-16(20)13-9-7-12(8-10-13)15(18)19/h2-10,14H,1H3,(H2,18,19)/t14-/m0/s1.
What are the key properties of [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate?
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate has a molecular weight of 313.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate is sourced from PubChem (CID 30929559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).