N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide

C19H24N4O2 — CID 70721234

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCCc3nncn3CC)c(C)c2c1
InChIInChI=1S/C19H24N4O2/c1-4-6-14-7-8-16-15(11-14)13(3)18(25-16)19(24)20-10-9-17-22-21-12-23(17)5-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,24)
InChIKeyWIWCJLJVDTYVEC-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide (PubChem CID 70721234) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
PubChem CID70721234
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCCc3nncn3CC)c(C)c2c1
InChIInChI=1S/C19H24N4O2/c1-4-6-14-7-8-16-15(11-14)13(3)18(25-16)19(24)20-10-9-17-22-21-12-23(17)5-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,24)
InChIKeyWIWCJLJVDTYVEC-UHFFFAOYSA-N
XLogP3.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide (CID 70721234) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)NCCc3nncn3CC)c(C)c2c1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
The InChIKey is WIWCJLJVDTYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-6-14-7-8-16-15(11-14)13(3)18(25-16)19(24)20-10-9-17-22-21-12-23(17)5-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70721234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).