N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide

C21H24N2O2 — CID 75420593

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide
SMILESCCN(C(=O)C1CCC1)C(c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H24N2O2/c1-2-23(21(24)15-5-3-6-15)20(18-7-4-11-22-14-18)17-8-9-19-16(13-17)10-12-25-19/h4,7-9,11,13-15,20H,2-3,5-6,10,12H2,1H3
InChIKeyALEXWRYGMWBFEZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.75
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide

N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide (PubChem CID 75420593) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide
PubChem CID75420593
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide
SMILESCCN(C(=O)C1CCC1)C(c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H24N2O2/c1-2-23(21(24)15-5-3-6-15)20(18-7-4-11-22-14-18)17-8-9-19-16(13-17)10-12-25-19/h4,7-9,11,13-15,20H,2-3,5-6,10,12H2,1H3
InChIKeyALEXWRYGMWBFEZ-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide (CID 75420593) is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide is CCN(C(=O)C1CCC1)C(c1cccnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide?
The InChIKey is ALEXWRYGMWBFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-23(21(24)15-5-3-6-15)20(18-7-4-11-22-14-18)17-8-9-19-16(13-17)10-12-25-19/h4,7-9,11,13-15,20H,2-3,5-6,10,12H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide?
N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclobutanecarboxamide is sourced from PubChem (CID 75420593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).