N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide

C16H16N4O2 — CID 155538860

IUPACN-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2nnn(C)c2c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-4-6-15(11)22-10-16(21)17-12-7-8-13-14(9-12)20(2)19-18-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyOBCLEBRRPCDSPM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.29
Rot. Bonds4

About N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide

N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 155538860) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
PubChem CID155538860
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2nnn(C)c2c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-4-6-15(11)22-10-16(21)17-12-7-8-13-14(9-12)20(2)19-18-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyOBCLEBRRPCDSPM-UHFFFAOYSA-N
XLogP2.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide (CID 155538860) is N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2nnn(C)c2c1.
What is the InChIKey of N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is OBCLEBRRPCDSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-5-3-4-6-15(11)22-10-16(21)17-12-7-8-13-14(9-12)20(2)19-18-13/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 155538860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).