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

C17H25N5O2 — CID 119065793

IUPAC2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCCn1cnnc1C(C)NC(=O)c1cc(C)ccc1OCCN
InChIInChI=1S/C17H25N5O2/c1-4-8-22-11-19-21-16(22)13(3)20-17(23)14-10-12(2)5-6-15(14)24-9-7-18/h5-6,10-11,13H,4,7-9,18H2,1-3H3,(H,20,23)
InChIKeyJKNHEXHUJVWDHC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.83
Rot. Bonds8

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

2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 119065793) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID119065793
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCCn1cnnc1C(C)NC(=O)c1cc(C)ccc1OCCN
InChIInChI=1S/C17H25N5O2/c1-4-8-22-11-19-21-16(22)13(3)20-17(23)14-10-12(2)5-6-15(14)24-9-7-18/h5-6,10-11,13H,4,7-9,18H2,1-3H3,(H,20,23)
InChIKeyJKNHEXHUJVWDHC-UHFFFAOYSA-N
XLogP1.83
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 119065793) is 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide is CCCn1cnnc1C(C)NC(=O)c1cc(C)ccc1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is JKNHEXHUJVWDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-8-22-11-19-21-16(22)13(3)20-17(23)14-10-12(2)5-6-15(14)24-9-7-18/h5-6,10-11,13H,4,7-9,18H2,1-3H3,(H,20,23).
What are the key properties of 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 119065793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).