N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C18H26N4O2 — CID 86819205

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCOCC(NC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(C)C
InChIInChI=1S/C18H26N4O2/c1-6-24-11-16(12(2)3)19-18(23)17-14(5)22(21-20-17)15-9-7-13(4)8-10-15/h7-10,12,16H,6,11H2,1-5H3,(H,19,23)
InChIKeyVDHMHHXORPABKL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.68
Rot. Bonds7

About N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 86819205) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID86819205
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCOCC(NC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(C)C
InChIInChI=1S/C18H26N4O2/c1-6-24-11-16(12(2)3)19-18(23)17-14(5)22(21-20-17)15-9-7-13(4)8-10-15/h7-10,12,16H,6,11H2,1-5H3,(H,19,23)
InChIKeyVDHMHHXORPABKL-UHFFFAOYSA-N
XLogP2.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
CID 16651675
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111448019
4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
CID 119253620
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 94595018
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55884402
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873496
ethyl (2S)-2-[[1-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]-3-methylbutanoate
CID 97100019
(2R)-2-(4-fluorophenoxy)-3-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]propanoic acid
CID 97337600
ethyl 4-(4-acetyl-5-methyltriazol-1-yl)benzoate
CID 82201484

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 86819205) is N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is CCOCC(NC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is VDHMHHXORPABKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-6-24-11-16(12(2)3)19-18(23)17-14(5)22(21-20-17)15-9-7-13(4)8-10-15/h7-10,12,16H,6,11H2,1-5H3,(H,19,23).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 86819205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).