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

C19H19NO3 — CID 127026426

IUPACN-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2ccc3occ(CCNC(=O)C4CC4)c3c2c1
InChIInChI=1S/C19H19NO3/c1-22-15-6-4-12-5-7-17-18(16(12)10-15)14(11-23-17)8-9-20-19(21)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyMEMHWYDEBRSNOK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.66
Rot. Bonds5

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

N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 127026426) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID127026426
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2ccc3occ(CCNC(=O)C4CC4)c3c2c1
InChIInChI=1S/C19H19NO3/c1-22-15-6-4-12-5-7-17-18(16(12)10-15)14(11-23-17)8-9-20-19(21)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyMEMHWYDEBRSNOK-UHFFFAOYSA-N
XLogP3.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide (CID 127026426) is N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide is COc1ccc2ccc3occ(CCNC(=O)C4CC4)c3c2c1.
What is the InChIKey of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is MEMHWYDEBRSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-15-6-4-12-5-7-17-18(16(12)10-15)14(11-23-17)8-9-20-19(21)13-2-3-13/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,20,21).
What are the key properties of N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 127026426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).