4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide

C17H23N5O2 — CID 51093781

IUPAC4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1)c1nncn1C
InChIInChI=1S/C17H23N5O2/c1-11(14-21-18-10-22(14)5)19-15(23)12-6-8-13(9-7-12)16(24)20-17(2,3)4/h6-11H,1-5H3,(H,19,23)(H,20,24)
InChIKeyGFNHONDAIIRVMU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.83
Rot. Bonds4

About 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 51093781) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID51093781
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1)c1nncn1C
InChIInChI=1S/C17H23N5O2/c1-11(14-21-18-10-22(14)5)19-15(23)12-6-8-13(9-7-12)16(24)20-17(2,3)4/h6-11H,1-5H3,(H,19,23)(H,20,24)
InChIKeyGFNHONDAIIRVMU-UHFFFAOYSA-N
XLogP1.83
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-(bromomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 102851127
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301
4-(2-hydroxyethylsulfanyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 90648440
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
2-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 62119598
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671
2,2-dimethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-oxopropanoic acid
CID 82821196
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2,2,2-trifluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63374666
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 90648293

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide (CID 51093781) is 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide is CC(NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1)c1nncn1C.
What is the InChIKey of 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is GFNHONDAIIRVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(14-21-18-10-22(14)5)19-15(23)12-6-8-13(9-7-12)16(24)20-17(2,3)4/h6-11H,1-5H3,(H,19,23)(H,20,24).
What are the key properties of 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 51093781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).