N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide

C14H18N4O2 — CID 15943640

IUPACN-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCCOc1ccc(NC(=O)CC(C)n2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-20-13-6-4-12(5-7-13)17-14(19)8-11(2)18-10-15-9-16-18/h4-7,9-11H,3,8H2,1-2H3,(H,17,19)
InChIKeyICFVZNZRIGGNMX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.27
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide

N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide (PubChem CID 15943640) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
PubChem CID15943640
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCCOc1ccc(NC(=O)CC(C)n2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-20-13-6-4-12(5-7-13)17-14(19)8-11(2)18-10-15-9-16-18/h4-7,9-11H,3,8H2,1-2H3,(H,17,19)
InChIKeyICFVZNZRIGGNMX-UHFFFAOYSA-N
XLogP2.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
CID 39730515
N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943467
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide
CID 40793194
(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
CID 35399839
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 46340049
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide (CID 15943640) is N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide is CCOc1ccc(NC(=O)CC(C)n2cncn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is ICFVZNZRIGGNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-13-6-4-12(5-7-13)17-14(19)8-11(2)18-10-15-9-16-18/h4-7,9-11H,3,8H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 274.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 15943640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).