N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide

C18H17NO3 — CID 127026427

IUPACN-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
InChIInChI=1S/C18H17NO3/c1-21-13-6-4-11-5-7-17-16(15(11)8-13)9-14(22-17)10-19-18(20)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,19,20)
InChIKeyWEFKQHLHMUQVJD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.62
Rot. Bonds4

About N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide

N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 127026427) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide
PubChem CID127026427
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
InChIInChI=1S/C18H17NO3/c1-21-13-6-4-11-5-7-17-16(15(11)8-13)9-14(22-17)10-19-18(20)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,19,20)
InChIKeyWEFKQHLHMUQVJD-UHFFFAOYSA-N
XLogP3.62
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide (CID 127026427) is N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide is COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1.
What is the InChIKey of N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is WEFKQHLHMUQVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-13-6-4-11-5-7-17-16(15(11)8-13)9-14(22-17)10-19-18(20)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,19,20).
What are the key properties of N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide?
N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 127026427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).