methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate

C17H15NO7 — CID 15192186

IUPACmethyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
SMILESCOC(=O)Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)OC
InChIInChI=1S/C17H15NO7/c1-23-14(19)9-13-11(16(21)24-2)8-12(17(22)25-13)18-15(20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyMUWLEZVEFAKAMH-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.39
Rot. Bonds5

About methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate

methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate (PubChem CID 15192186) has the molecular formula C17H15NO7 and a molecular weight of 345.31 g/mol. Its IUPAC name is methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
PubChem CID15192186
Molecular FormulaC17H15NO7
Molecular Weight345.31 g/mol
Exact Mass345.08
IUPAC Namemethyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
SMILESCOC(=O)Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)OC
InChIInChI=1S/C17H15NO7/c1-23-14(19)9-13-11(16(21)24-2)8-12(17(22)25-13)18-15(20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyMUWLEZVEFAKAMH-UHFFFAOYSA-N
XLogP1.39
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
CID 86259664
methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate
CID 57341599
methyl 4-benzamido-2-(bromomethyl)-5-iodobenzoate
CID 170628930
ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
CID 1473621
methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate
CID 174534965
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide
CID 10809398
methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
ethyl 5-benzamido-2-[(E)-2-(4-bromoanilino)ethenyl]-6-oxopyran-3-carboxylate
CID 10576791
ethyl 5-benzamido-2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-6-oxopyran-3-carboxylate
CID 10345620
methyl 2-[(5-bromo-6-oxopyran-3-carbonyl)amino]benzoate
CID 3723064

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate?
The IUPAC name of methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate (CID 15192186) is methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate?
The canonical SMILES for methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate is COC(=O)Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)OC.
What is the InChIKey of methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate?
The InChIKey is MUWLEZVEFAKAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO7/c1-23-14(19)9-13-11(16(21)24-2)8-12(17(22)25-13)18-15(20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate?
methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate has a molecular weight of 345.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate is sourced from PubChem (CID 15192186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).