2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide

C25H24N4O4 — CID 17234031

IUPAC2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
SMILESCCCc1cc2c(cc1NC(=O)COc1ccc(C)cc1-n1nc3ccccc3n1)OCO2
InChIInChI=1S/C25H24N4O4/c1-3-6-17-12-23-24(33-15-32-23)13-20(17)26-25(30)14-31-22-10-9-16(2)11-21(22)29-27-18-7-4-5-8-19(18)28-29/h4-5,7-13H,3,6,14-15H2,1-2H3,(H,26,30)
InChIKeyVBCLEUFYTTWNAR-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.43
Rot. Bonds7

About 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide (PubChem CID 17234031) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
PubChem CID17234031
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
SMILESCCCc1cc2c(cc1NC(=O)COc1ccc(C)cc1-n1nc3ccccc3n1)OCO2
InChIInChI=1S/C25H24N4O4/c1-3-6-17-12-23-24(33-15-32-23)13-20(17)26-25(30)14-31-22-10-9-16(2)11-21(22)29-27-18-7-4-5-8-19(18)28-29/h4-5,7-13H,3,6,14-15H2,1-2H3,(H,26,30)
InChIKeyVBCLEUFYTTWNAR-UHFFFAOYSA-N
XLogP4.43
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
CID 91962428
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 16764891
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 71832692
1-[[2-[2-(benzotriazol-2-yl)-4-methylphenoxy]acetyl]amino]-3-methylthiourea
CID 5298641
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18170344
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 18170352
2-(5-methyl-2-tridecoxyphenyl)benzotriazole
CID 59946740
2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46366675
2-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]benzotriazole
CID 126655961
N-(6-amino-1,3-benzodioxol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119618257
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-tert-butylphenoxy)acetamide
CID 32996399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide (CID 17234031) is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide is CCCc1cc2c(cc1NC(=O)COc1ccc(C)cc1-n1nc3ccccc3n1)OCO2.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is VBCLEUFYTTWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-3-6-17-12-23-24(33-15-32-23)13-20(17)26-25(30)14-31-22-10-9-16(2)11-21(22)29-27-18-7-4-5-8-19(18)28-29/h4-5,7-13H,3,6,14-15H2,1-2H3,(H,26,30).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide?
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 444.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 17234031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).