N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

C18H19NO3 — CID 24819453

IUPACN-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccco3)oc2c1C
InChIInChI=1S/C18H19NO3/c1-11-6-7-15-13(3)17(22-16(15)12(11)2)18(20)19-9-8-14-5-4-10-21-14/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyCHIOUYLGYYZGJX-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 24819453) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID24819453
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccco3)oc2c1C
InChIInChI=1S/C18H19NO3/c1-11-6-7-15-13(3)17(22-16(15)12(11)2)18(20)19-9-8-14-5-4-10-21-14/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyCHIOUYLGYYZGJX-UHFFFAOYSA-N
XLogP3.92
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CID 24819453) is N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3ccco3)oc2c1C.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is CHIOUYLGYYZGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-6-7-15-13(3)17(22-16(15)12(11)2)18(20)19-9-8-14-5-4-10-21-14/h4-7,10H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24819453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).