4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide

C20H20N4O2 — CID 37122275

IUPAC4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-15-3-5-16(6-4-15)19(25)11-12-20(26)23-17-7-9-18(10-8-17)24-14-21-13-22-24/h3-10,13-14H,2,11-12H2,1H3,(H,23,26)
InChIKeyLTRKEHYFQUSMCW-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.43
Rot. Bonds7

About 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide

4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide (PubChem CID 37122275) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
PubChem CID37122275
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-15-3-5-16(6-4-15)19(25)11-12-20(26)23-17-7-9-18(10-8-17)24-14-21-13-22-24/h3-10,13-14H,2,11-12H2,1H3,(H,23,26)
InChIKeyLTRKEHYFQUSMCW-UHFFFAOYSA-N
XLogP3.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
5-oxo-5-[4-(1,2,4-triazol-1-yl)anilino]pentanoic acid
CID 60934318
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
4-(methylsulfonylmethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121988
2-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]sulfanylacetic acid
CID 104569135
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034
3-[4-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690041

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide (CID 37122275) is 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccc(-n3cncn3)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide?
The InChIKey is LTRKEHYFQUSMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-15-3-5-16(6-4-15)19(25)11-12-20(26)23-17-7-9-18(10-8-17)24-14-21-13-22-24/h3-10,13-14H,2,11-12H2,1H3,(H,23,26).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide?
4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide has a molecular weight of 348.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 37122275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).