2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C20H20N4O2 — CID 166259540

IUPAC2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(NCc1cccc(-n2cncn2)c1)C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(17-8-6-16(7-9-17)15-4-5-15)20(26)22-11-14-2-1-3-18(10-14)24-13-21-12-23-24/h1-3,6-10,12-13,15,19,25H,4-5,11H2,(H,22,26)
InChIKeyJUXICJKTXFEPLD-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.49
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 166259540) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID166259540
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(NCc1cccc(-n2cncn2)c1)C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(17-8-6-16(7-9-17)15-4-5-15)20(26)22-11-14-2-1-3-18(10-14)24-13-21-12-23-24/h1-3,6-10,12-13,15,19,25H,4-5,11H2,(H,22,26)
InChIKeyJUXICJKTXFEPLD-UHFFFAOYSA-N
XLogP2.49
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(azepan-1-yl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 124606786
1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695
4-[[3-(1,2,4-triazol-1-yl)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002728
3-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119781706
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 98873454
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119781726
(3aS,6aR)-2-[[3-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122002730
2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167895237
1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 95936437
2-thiomorpholin-3-yl-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119939028
tert-butyl (2R,3S)-2-propan-2-yl-3-[[3-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 124721806
tert-butyl (2S,3R)-2-propan-2-yl-3-[[3-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 124721804

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 166259540) is 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is O=C(NCc1cccc(-n2cncn2)c1)C(O)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is JUXICJKTXFEPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(17-8-6-16(7-9-17)15-4-5-15)20(26)22-11-14-2-1-3-18(10-14)24-13-21-12-23-24/h1-3,6-10,12-13,15,19,25H,4-5,11H2,(H,22,26).
What are the key properties of 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-hydroxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 166259540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).