methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate

C20H21NO5 — CID 46090259

IUPACmethyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(CNC(=O)Cc1ccc(OC)cc1)O2
InChIInChI=1S/C20H21NO5/c1-24-16-6-3-13(4-7-16)9-19(22)21-12-17-11-15-10-14(20(23)25-2)5-8-18(15)26-17/h3-8,10,17H,9,11-12H2,1-2H3,(H,21,22)
InChIKeyHVBWMZNFUPXDHF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.14
Rot. Bonds6

About methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate

methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 46090259) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID46090259
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(CNC(=O)Cc1ccc(OC)cc1)O2
InChIInChI=1S/C20H21NO5/c1-24-16-6-3-13(4-7-16)9-19(22)21-12-17-11-15-10-14(20(23)25-2)5-8-18(15)26-17/h3-8,10,17H,9,11-12H2,1-2H3,(H,21,22)
InChIKeyHVBWMZNFUPXDHF-UHFFFAOYSA-N
XLogP2.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate (CID 46090259) is methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate is COC(=O)c1ccc2c(c1)CC(CNC(=O)Cc1ccc(OC)cc1)O2.
What is the InChIKey of methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is HVBWMZNFUPXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-24-16-6-3-13(4-7-16)9-19(22)21-12-17-11-15-10-14(20(23)25-2)5-8-18(15)26-17/h3-8,10,17H,9,11-12H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 46090259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).