N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide

C20H23NO3 — CID 110792398

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H23NO3/c1-23-18-5-3-2-4-16(18)7-9-20(22)21-12-10-15-6-8-19-17(14-15)11-13-24-19/h2-6,8,14H,7,9-13H2,1H3,(H,21,22)
InChIKeyGNQRNTGMOGIVIY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 110792398) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
PubChem CID110792398
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H23NO3/c1-23-18-5-3-2-4-16(18)7-9-20(22)21-12-10-15-6-8-19-17(14-15)11-13-24-19/h2-6,8,14H,7,9-13H2,1H3,(H,21,22)
InChIKeyGNQRNTGMOGIVIY-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide (CID 110792398) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is GNQRNTGMOGIVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-5-3-2-4-16(18)7-9-20(22)21-12-10-15-6-8-19-17(14-15)11-13-24-19/h2-6,8,14H,7,9-13H2,1H3,(H,21,22).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 110792398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).