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

C24H24N4O4 — CID 24608824

IUPAC2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H24N4O4/c1-31-19-6-4-5-18(13-19)15-25-24(30)16-32-23-10-9-17(11-12-29)14-22(23)28-26-20-7-2-3-8-21(20)27-28/h2-10,13-14,29H,11-12,15-16H2,1H3,(H,25,30)
InChIKeyADORTWHCYYVDOB-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.66
Rot. Bonds9

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

2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 24608824) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID24608824
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H24N4O4/c1-31-19-6-4-5-18(13-19)15-25-24(30)16-32-23-10-9-17(11-12-29)14-22(23)28-26-20-7-2-3-8-21(20)27-28/h2-10,13-14,29H,11-12,15-16H2,1H3,(H,25,30)
InChIKeyADORTWHCYYVDOB-UHFFFAOYSA-N
XLogP2.66
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.66
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)acetamide
CID 9354919
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-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
CID 91962428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide (CID 24608824) is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is ADORTWHCYYVDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-19-6-4-5-18(13-19)15-25-24(30)16-32-23-10-9-17(11-12-29)14-22(23)28-26-20-7-2-3-8-21(20)27-28/h2-10,13-14,29H,11-12,15-16H2,1H3,(H,25,30).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.66, 9 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)methyl]acetamide is sourced from PubChem (CID 24608824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).