N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide

C22H26N4O3 — CID 16651864

IUPACN-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2nnn(-c3ccc(OC)cc3)c2COC)cc1
InChIInChI=1S/C22H26N4O3/c1-4-5-6-16-7-9-17(10-8-16)23-22(27)21-20(15-28-2)26(25-24-21)18-11-13-19(29-3)14-12-18/h7-14H,4-6,15H2,1-3H3,(H,23,27)
InChIKeyNDWRNBLFJCAOOE-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.02
Rot. Bonds9

About N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide

N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 16651864) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID16651864
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2nnn(-c3ccc(OC)cc3)c2COC)cc1
InChIInChI=1S/C22H26N4O3/c1-4-5-6-16-7-9-17(10-8-16)23-22(27)21-20(15-28-2)26(25-24-21)18-11-13-19(29-3)14-12-18/h7-14H,4-6,15H2,1-3H3,(H,23,27)
InChIKeyNDWRNBLFJCAOOE-UHFFFAOYSA-N
XLogP4.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
CID 17015604
N-(4-butylphenyl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 18554557
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
butyl 4-[[1-(4-chlorophenyl)-5-propyltriazole-4-carbonyl]amino]benzoate
CID 16652060
N-(4-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide
CID 43845089
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
CID 4016608
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide (CID 16651864) is N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide is CCCCc1ccc(NC(=O)c2nnn(-c3ccc(OC)cc3)c2COC)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is NDWRNBLFJCAOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-5-6-16-7-9-17(10-8-16)23-22(27)21-20(15-28-2)26(25-24-21)18-11-13-19(29-3)14-12-18/h7-14H,4-6,15H2,1-3H3,(H,23,27).
What are the key properties of N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).