2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide

C23H22N4O4 — CID 9354919

IUPAC2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1
InChIInChI=1S/C23H22N4O4/c1-30-18-6-4-5-17(14-18)24-23(29)15-31-22-10-9-16(11-12-28)13-21(22)27-25-19-7-2-3-8-20(19)26-27/h2-10,13-14,28H,11-12,15H2,1H3,(H,24,29)
InChIKeyLRFFLNYCIOQECM-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.98
Rot. Bonds8

About 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide

2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 9354919) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
PubChem CID9354919
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1
InChIInChI=1S/C23H22N4O4/c1-30-18-6-4-5-17(14-18)24-23(29)15-31-22-10-9-16(11-12-28)13-21(22)27-25-19-7-2-3-8-20(19)26-27/h2-10,13-14,28H,11-12,15H2,1H3,(H,24,29)
InChIKeyLRFFLNYCIOQECM-UHFFFAOYSA-N
XLogP2.98
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide
CID 24608824
3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide
CID 24582103
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide
CID 18089217
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(2-acetylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7859310
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
CID 91962428
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide (CID 9354919) is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is LRFFLNYCIOQECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-18-6-4-5-17(14-18)24-23(29)15-31-22-10-9-16(11-12-28)13-21(22)27-25-19-7-2-3-8-20(19)26-27/h2-10,13-14,28H,11-12,15H2,1H3,(H,24,29).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9354919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).