2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide

C22H26N4O3 — CID 18089217

IUPAC2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide
SMILESO=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C22H26N4O3/c27-13-12-16-10-11-21(29-15-22(28)23-17-6-2-1-3-7-17)20(14-16)26-24-18-8-4-5-9-19(18)25-26/h4-5,8-11,14,17,27H,1-3,6-7,12-13,15H2,(H,23,28)
InChIKeyZISUCNJTCGYJSR-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.78
Rot. Bonds7

About 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide

2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide (PubChem CID 18089217) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide
PubChem CID18089217
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide
SMILESO=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)NC1CCCCC1
InChIInChI=1S/C22H26N4O3/c27-13-12-16-10-11-21(29-15-22(28)23-17-6-2-1-3-7-17)20(14-16)26-24-18-8-4-5-9-19(18)25-26/h4-5,8-11,14,17,27H,1-3,6-7,12-13,15H2,(H,23,28)
InChIKeyZISUCNJTCGYJSR-UHFFFAOYSA-N
XLogP2.78
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide
CID 24608824
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
ethyl 4-[2-(cyclooctylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750602
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide (CID 18089217) is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide is O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)NC1CCCCC1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide?
The InChIKey is ZISUCNJTCGYJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-13-12-16-10-11-21(29-15-22(28)23-17-6-2-1-3-7-17)20(14-16)26-24-18-8-4-5-9-19(18)25-26/h4-5,8-11,14,17,27H,1-3,6-7,12-13,15H2,(H,23,28).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide?
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide has a molecular weight of 394.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 18089217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).