N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide

C20H26FN5O4 — CID 87481393

IUPACN-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C)c(OCCOCCF)c1
InChIInChI=1S/C20H26FN5O4/c1-3-22-19(27)14-4-7-16(17(12-14)30-11-10-29-9-8-21)26-13(2)18(24-25-26)20(28)23-15-5-6-15/h4,7,12,15H,3,5-6,8-11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyXLCYPDWDHVOPLJ-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.58
Rot. Bonds11

About N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide

N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide (PubChem CID 87481393) has the molecular formula C20H26FN5O4 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide
PubChem CID87481393
Molecular FormulaC20H26FN5O4
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC NameN-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C)c(OCCOCCF)c1
InChIInChI=1S/C20H26FN5O4/c1-3-22-19(27)14-4-7-16(17(12-14)30-11-10-29-9-8-21)26-13(2)18(24-25-26)20(28)23-15-5-6-15/h4,7,12,15H,3,5-6,8-11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyXLCYPDWDHVOPLJ-UHFFFAOYSA-N
XLogP1.58
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 127046485
N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 6493779
N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-[(3-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 16222234
N-(2-hydroxyethyl)-1-[2-(3-phenylpropoxy)-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 57664730
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(2,3,6-trifluorophenoxy)methyl]triazole-4-carboxamide
CID 57664731
5-[(3-fluorophenoxy)methyl]-N-(3-hydroxypropyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 57664738
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[3-(2-fluorophenoxy)propyl]triazole-4-carboxamide
CID 57664742
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[[2-fluoro-3-(trifluoromethyl)phenoxy]methyl]triazole-4-carboxamide
CID 57664743
1-[4-(ethylcarbamoyl)phenyl]-5-[(3-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
CID 57664751
1-[4-(ethylcarbamoyl)phenyl]-5-[(3-fluorophenoxy)methyl]-N-[2-(methanesulfonamido)ethyl]triazole-4-carboxamide
CID 57664759

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide (CID 87481393) is N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide is CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C)c(OCCOCCF)c1.
What is the InChIKey of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide?
The InChIKey is XLCYPDWDHVOPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O4/c1-3-22-19(27)14-4-7-16(17(12-14)30-11-10-29-9-8-21)26-13(2)18(24-25-26)20(28)23-15-5-6-15/h4,7,12,15H,3,5-6,8-11H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide?
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 1.58, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 87481393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).