2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide

C19H20N4O2 — CID 112835262

IUPAC2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2ccccc2-n2ccnn2)c1
InChIInChI=1S/C19H20N4O2/c1-14(2)15-6-5-7-16(12-15)25-13-19(24)21-17-8-3-4-9-18(17)23-11-10-20-22-23/h3-12,14H,13H2,1-2H3,(H,21,24)
InChIKeyJXOFEWGBWLGONR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.41
Rot. Bonds6

About 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide

2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide (PubChem CID 112835262) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide
PubChem CID112835262
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2ccccc2-n2ccnn2)c1
InChIInChI=1S/C19H20N4O2/c1-14(2)15-6-5-7-16(12-15)25-13-19(24)21-17-8-3-4-9-18(17)23-11-10-20-22-23/h3-12,14H,13H2,1-2H3,(H,21,24)
InChIKeyJXOFEWGBWLGONR-UHFFFAOYSA-N
XLogP3.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55640232
N-[2-(4-methylanilino)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108745039
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
CID 78930303
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide (CID 112835262) is 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide is CC(C)c1cccc(OCC(=O)Nc2ccccc2-n2ccnn2)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide?
The InChIKey is JXOFEWGBWLGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(2)15-6-5-7-16(12-15)25-13-19(24)21-17-8-3-4-9-18(17)23-11-10-20-22-23/h3-12,14H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide?
2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 112835262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).