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

C18H23NO4 — CID 134852126

IUPACtert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
SMILESCC(=O)NC1(c2ccccc2)CC(C(=O)OC(C)(C)C)=C(C)O1
InChIInChI=1S/C18H23NO4/c1-12-15(16(21)23-17(3,4)5)11-18(22-12,19-13(2)20)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,19,20)
InChIKeyUILRJBLGDONQRK-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.01
Rot. Bonds3

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

tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate (PubChem CID 134852126) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
PubChem CID134852126
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Nametert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
SMILESCC(=O)NC1(c2ccccc2)CC(C(=O)OC(C)(C)C)=C(C)O1
InChIInChI=1S/C18H23NO4/c1-12-15(16(21)23-17(3,4)5)11-18(22-12,19-13(2)20)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,19,20)
InChIKeyUILRJBLGDONQRK-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-(3-fluorophenyl)-4-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 69717315
4-(3-Fluorophenyl)-4-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 69719083
4-(2-Fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87748817
N-(4-oxo-2-phenyl-3,5,6,7-tetrahydro-1-benzofuran-2-yl)acetamide
CID 134852127
N-(4-benzoyl-2,5-diphenyl-3H-furan-2-yl)acetamide
CID 134852128
methyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate
CID 164683675
4-Acetamido-4-methoxy-4-phenylbutanoic acid
CID 67380087
Tert-butyl 3-(1-{[(benzyloxy)carbonyl]amino}cyclopentyl)propanoate
CID 67428133
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
CID 153246672
N-tert-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
CID 10664528

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
The IUPAC name of tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate (CID 134852126) is tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate.
What is the SMILES notation for tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
The canonical SMILES for tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate is CC(=O)NC1(c2ccccc2)CC(C(=O)OC(C)(C)C)=C(C)O1.
What is the InChIKey of tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
The InChIKey is UILRJBLGDONQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-15(16(21)23-17(3,4)5)11-18(22-12,19-13(2)20)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate?
tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetamido-5-methyl-2-phenyl-3H-furan-4-carboxylate is sourced from PubChem (CID 134852126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).