3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide

C24H23N5O4 — CID 24582103

IUPAC3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H23N5O4/c1-25-24(32)17-5-4-6-18(14-17)26-23(31)15-33-22-10-9-16(11-12-30)13-21(22)29-27-19-7-2-3-8-20(19)28-29/h2-10,13-14,30H,11-12,15H2,1H3,(H,25,32)(H,26,31)
InChIKeyYCQJAHQTGWMZIK-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.33
Rot. Bonds8

About 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide

3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide (PubChem CID 24582103) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide
PubChem CID24582103
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1
InChIInChI=1S/C24H23N5O4/c1-25-24(32)17-5-4-6-18(14-17)26-23(31)15-33-22-10-9-16(11-12-30)13-21(22)29-27-19-7-2-3-8-20(19)28-29/h2-10,13-14,30H,11-12,15H2,1H3,(H,25,32)(H,26,31)
InChIKeyYCQJAHQTGWMZIK-UHFFFAOYSA-N
XLogP2.33
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.33
H-Bond Donors ≤ 53
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
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-[(3-methoxyphenyl)methyl]acetamide
CID 24608824
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-cyclohexylacetamide
CID 18089217
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8578482
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9196891
1-[[2-[2-(benzotriazol-2-yl)-4-methylphenoxy]acetyl]amino]-3-methylthiourea
CID 5298641
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-methoxyacetamide
CID 91962428
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide (CID 24582103) is 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)c1.
What is the InChIKey of 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide?
The InChIKey is YCQJAHQTGWMZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-25-24(32)17-5-4-6-18(14-17)26-23(31)15-33-22-10-9-16(11-12-30)13-21(22)29-27-19-7-2-3-8-20(19)28-29/h2-10,13-14,30H,11-12,15H2,1H3,(H,25,32)(H,26,31).
What are the key properties of 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide?
3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide has a molecular weight of 445.48 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24582103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).