methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate

C15H17NO4 — CID 164683675

IUPACmethyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(NC(C)=O)(c2ccccc2)C1
InChIInChI=1S/C15H17NO4/c1-10-13(14(18)19-3)9-15(20-10,16-11(2)17)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyLGBORJPWQCBQKS-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.84
Rot. Bonds3

About methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate

methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate (PubChem CID 164683675) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
PubChem CID164683675
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(NC(C)=O)(c2ccccc2)C1
InChIInChI=1S/C15H17NO4/c1-10-13(14(18)19-3)9-15(20-10,16-11(2)17)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyLGBORJPWQCBQKS-UHFFFAOYSA-N
XLogP1.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87748817
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CID 169095491
Methyl 4-(2-ethoxy-4,4-difluoro-5-oxopyrrolidin-2-yl)benzoate
CID 175452310
tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
CID 134852126
N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide
CID 134852127
2-Ethyl-6-methyl-2-phenyl-2,3-dihydro-1,3-oxazin-4-one
CID 568975
4-Acetamido-4-methoxy-4-phenylbutanoic acid
CID 67380087
4-Hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
CID 69747192
Propan-2-yl 4-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 70364245
methyl (3E)-3-[methoxy(phenyl)methylidene]-7a-methyl-2-oxo-1,7-dihydroindole-6-carboxylate
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[1-Phenyl-1-(prop-2-enoylamino)ethyl] acetate
CID 175313376
(4-methoxy-3,6-dioxo-2-phenyl-1H-pyridin-2-yl) acetate
CID 11044004

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
The IUPAC name of methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate (CID 164683675) is methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate.
What is the SMILES notation for methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
The canonical SMILES for methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate is COC(=O)C1=C(C)OC(NC(C)=O)(c2ccccc2)C1.
What is the InChIKey of methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
The InChIKey is LGBORJPWQCBQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-13(14(18)19-3)9-15(20-10,16-11(2)17)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate is sourced from PubChem (CID 164683675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).