N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide

C18H18N4O — CID 175753462

IUPACN-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide
SMILESCCc1ccccc1-n1cc(-c2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C18H18N4O/c1-3-14-6-4-5-7-18(14)22-12-17(20-21-22)15-8-10-16(11-9-15)19-13(2)23/h4-12H,3H2,1-2H3,(H,19,23)
InChIKeyXYNPRVVAYHYRDY-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.46
Rot. Bonds4

About N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide

N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide (PubChem CID 175753462) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide
PubChem CID175753462
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide
SMILESCCc1ccccc1-n1cc(-c2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C18H18N4O/c1-3-14-6-4-5-7-18(14)22-12-17(20-21-22)15-8-10-16(11-9-15)19-13(2)23/h4-12H,3H2,1-2H3,(H,19,23)
InChIKeyXYNPRVVAYHYRDY-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide
CID 20980443
1-(2-ethylphenyl)-4-(3-prop-2-enoxyphenyl)triazole
CID 20977591
1-[2-(bromomethyl)phenyl]-4-(3,4-dimethoxyphenyl)triazole
CID 165477049
4-(1-naphthalen-1-yltriazol-4-yl)phenol
CID 52947273
N-(4-phenylphenyl)acetamide
CID 19998
1-(2-ethylphenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991234
4-[1-(2,3-dimethylphenyl)triazol-4-yl]benzoic acid
CID 82367376
2-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 92645314
N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66206254
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552
N-[4-[4-(4-ethylanilino)-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596802
2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide
CID 24963748

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide (CID 175753462) is N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide is CCc1ccccc1-n1cc(-c2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide?
The InChIKey is XYNPRVVAYHYRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-14-6-4-5-7-18(14)22-12-17(20-21-22)15-8-10-16(11-9-15)19-13(2)23/h4-12H,3H2,1-2H3,(H,19,23).
What are the key properties of N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide?
N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 175753462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).