4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide

C20H22N4O2 — CID 55880866

IUPAC4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C20H22N4O2/c25-20(11-4-8-17-6-2-1-3-7-17)23-18-9-5-10-19(14-18)26-13-12-24-16-21-15-22-24/h1-3,5-7,9-10,14-16H,4,8,11-13H2,(H,23,25)
InChIKeyULZJDLWJMSYQPJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.32
Rot. Bonds9

About 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide

4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide (PubChem CID 55880866) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
PubChem CID55880866
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C20H22N4O2/c25-20(11-4-8-17-6-2-1-3-7-17)23-18-9-5-10-19(14-18)26-13-12-24-16-21-15-22-24/h1-3,5-7,9-10,14-16H,4,8,11-13H2,(H,23,25)
InChIKeyULZJDLWJMSYQPJ-UHFFFAOYSA-N
XLogP3.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880986
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55880350
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]prop-2-enamide
CID 55880730
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676210

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide?
The IUPAC name of 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide (CID 55880866) is 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide?
The canonical SMILES for 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide is O=C(CCCc1ccccc1)Nc1cccc(OCCn2cncn2)c1.
What is the InChIKey of 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide?
The InChIKey is ULZJDLWJMSYQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(11-4-8-17-6-2-1-3-7-17)23-18-9-5-10-19(14-18)26-13-12-24-16-21-15-22-24/h1-3,5-7,9-10,14-16H,4,8,11-13H2,(H,23,25).
What are the key properties of 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide?
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide is sourced from PubChem (CID 55880866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).