2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide

C17H23N5O3 — CID 131908220

IUPAC2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C17H23N5O3/c1-4-11(2)15(23)19-13-8-6-5-7-12(13)16(24)18-10-9-14-20-21-17(25)22(14)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,24)(H,19,23)(H,21,25)
InChIKeyUVILNDSEQNTBEB-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.07
Rot. Bonds7

About 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide

2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 131908220) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID131908220
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C17H23N5O3/c1-4-11(2)15(23)19-13-8-6-5-7-12(13)16(24)18-10-9-14-20-21-17(25)22(14)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,24)(H,19,23)(H,21,25)
InChIKeyUVILNDSEQNTBEB-UHFFFAOYSA-N
XLogP1.07
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide (CID 131908220) is 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide is CCC(C)C(=O)Nc1ccccc1C(=O)NCCc1n[nH]c(=O)n1C.
What is the InChIKey of 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is UVILNDSEQNTBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-11(2)15(23)19-13-8-6-5-7-12(13)16(24)18-10-9-14-20-21-17(25)22(14)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,24)(H,19,23)(H,21,25).
What are the key properties of 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide?
2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutanoylamino)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 131908220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).