N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C20H24N2O4 — CID 4878649

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCC(c3ccco3)N(C)C)c(C)c2c1
InChIInChI=1S/C20H24N2O4/c1-5-24-14-8-9-17-15(11-14)13(2)19(26-17)20(23)21-12-16(22(3)4)18-7-6-10-25-18/h6-11,16H,5,12H2,1-4H3,(H,21,23)
InChIKeyNJCFXGYNUBRVHF-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4878649) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4878649
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCC(c3ccco3)N(C)C)c(C)c2c1
InChIInChI=1S/C20H24N2O4/c1-5-24-14-8-9-17-15(11-14)13(2)19(26-17)20(23)21-12-16(22(3)4)18-7-6-10-25-18/h6-11,16H,5,12H2,1-4H3,(H,21,23)
InChIKeyNJCFXGYNUBRVHF-UHFFFAOYSA-N
XLogP3.77
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 4878649) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NCC(c3ccco3)N(C)C)c(C)c2c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NJCFXGYNUBRVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-24-14-8-9-17-15(11-14)13(2)19(26-17)20(23)21-12-16(22(3)4)18-7-6-10-25-18/h6-11,16H,5,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4878649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).