methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate

C19H23NO5 — CID 34485199

IUPACmethyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCc2cccc(OC)c2)oc1C
InChIInChI=1S/C19H23NO5/c1-13-17(19(22)24-4)11-16(25-13)12-20(2)18(21)9-8-14-6-5-7-15(10-14)23-3/h5-7,10-11H,8-9,12H2,1-4H3
InChIKeyIFXKRRVPLJZYGU-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.97
Rot. Bonds7

About methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 34485199) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID34485199
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namemethyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCc2cccc(OC)c2)oc1C
InChIInChI=1S/C19H23NO5/c1-13-17(19(22)24-4)11-16(25-13)12-20(2)18(21)9-8-14-6-5-7-15(10-14)23-3/h5-7,10-11H,8-9,12H2,1-4H3
InChIKeyIFXKRRVPLJZYGU-UHFFFAOYSA-N
XLogP2.97
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34481666
methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60649742
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55789158
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
methyl 5-[[3-(2-fluorophenyl)sulfanylpropanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134016310
methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 166181806
methyl 5-[[[2-(4-acetamidophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34483785
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 110732936
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 34485199) is methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)CCc2cccc(OC)c2)oc1C.
What is the InChIKey of methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is IFXKRRVPLJZYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13-17(19(22)24-4)11-16(25-13)12-20(2)18(21)9-8-14-6-5-7-15(10-14)23-3/h5-7,10-11H,8-9,12H2,1-4H3.
What are the key properties of methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 34485199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).