N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

C14H18N4O2 — CID 80742856

IUPACN-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2cc(C(C)O)nn2)c1
InChIInChI=1S/C14H18N4O2/c1-3-11-5-4-6-12(7-11)15-14(20)9-18-8-13(10(2)19)16-17-18/h4-8,10,19H,3,9H2,1-2H3,(H,15,20)
InChIKeyUOWURMQBCQOEHS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds5

About N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 80742856) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID80742856
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2cc(C(C)O)nn2)c1
InChIInChI=1S/C14H18N4O2/c1-3-11-5-4-6-12(7-11)15-14(20)9-18-8-13(10(2)19)16-17-18/h4-8,10,19H,3,9H2,1-2H3,(H,15,20)
InChIKeyUOWURMQBCQOEHS-UHFFFAOYSA-N
XLogP1.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80735512
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 81436112
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
2-[4-[(3-ethylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288947
1-[2-[3-(methylaminomethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289946
methyl N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]carbamate
CID 81443796
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (CID 80742856) is N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is CCc1cccc(NC(=O)Cn2cc(C(C)O)nn2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is UOWURMQBCQOEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-11-5-4-6-12(7-11)15-14(20)9-18-8-13(10(2)19)16-17-18/h4-8,10,19H,3,9H2,1-2H3,(H,15,20).
What are the key properties of N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 80742856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).