2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

C18H17N5O2 — CID 168522128

IUPAC2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)CC#N)cc3n2)cc1
InChIInChI=1S/C18H17N5O2/c1-3-25-14-6-4-13(5-7-14)23-21-16-10-12(2)15(11-17(16)22-23)20-18(24)8-9-19/h4-7,10-11H,3,8H2,1-2H3,(H,20,24)
InChIKeyWOTDSOFJETVDES-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.98
Rot. Bonds5

About 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (PubChem CID 168522128) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
PubChem CID168522128
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)CC#N)cc3n2)cc1
InChIInChI=1S/C18H17N5O2/c1-3-25-14-6-4-13(5-7-14)23-21-16-10-12(2)15(11-17(16)22-23)20-18(24)8-9-19/h4-7,10-11H,3,8H2,1-2H3,(H,20,24)
InChIKeyWOTDSOFJETVDES-UHFFFAOYSA-N
XLogP2.98
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 1324519
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 23793528
3-ethoxy-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 1345438
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide
CID 17111080
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-cyano-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 168522648
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide
CID 1324228

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The IUPAC name of 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (CID 168522128) is 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is CCOc1ccc(-n2nc3cc(C)c(NC(=O)CC#N)cc3n2)cc1.
What is the InChIKey of 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The InChIKey is WOTDSOFJETVDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-3-25-14-6-4-13(5-7-14)23-21-16-10-12(2)15(11-17(16)22-23)20-18(24)8-9-19/h4-7,10-11H,3,8H2,1-2H3,(H,20,24).
What are the key properties of 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is sourced from PubChem (CID 168522128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).