methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate

C17H15NO4 — CID 46216786

IUPACmethyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
SMILESCOC(=O)Nc1cc2c(-c3ccccc3)ccc(OC)c2o1
InChIInChI=1S/C17H15NO4/c1-20-14-9-8-12(11-6-4-3-5-7-11)13-10-15(22-16(13)14)18-17(19)21-2/h3-10H,1-2H3,(H,18,19)
InChIKeyCJZGJASKUWFLQA-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.29
Rot. Bonds3

About methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate

methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate (PubChem CID 46216786) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
PubChem CID46216786
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate
SMILESCOC(=O)Nc1cc2c(-c3ccccc3)ccc(OC)c2o1
InChIInChI=1S/C17H15NO4/c1-20-14-9-8-12(11-6-4-3-5-7-11)13-10-15(22-16(13)14)18-17(19)21-2/h3-10H,1-2H3,(H,18,19)
InChIKeyCJZGJASKUWFLQA-UHFFFAOYSA-N
XLogP4.29
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
The IUPAC name of methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate (CID 46216786) is methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate.
What is the SMILES notation for methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
The canonical SMILES for methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate is COC(=O)Nc1cc2c(-c3ccccc3)ccc(OC)c2o1.
What is the InChIKey of methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
The InChIKey is CJZGJASKUWFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-14-9-8-12(11-6-4-3-5-7-11)13-10-15(22-16(13)14)18-17(19)21-2/h3-10H,1-2H3,(H,18,19).
What are the key properties of methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate?
methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate has a molecular weight of 297.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)carbamate is sourced from PubChem (CID 46216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).