N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide

C27H24N4O3 — CID 17111080

IUPACN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc45)cc3n2)cc1
InChIInChI=1S/C27H24N4O3/c1-3-33-21-13-11-20(12-14-21)31-29-24-15-18(2)23(16-25(24)30-31)28-27(32)17-34-26-10-6-8-19-7-4-5-9-22(19)26/h4-16H,3,17H2,1-2H3,(H,28,32)
InChIKeyNPHSUAAKGHXOJT-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.30
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide

N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide (PubChem CID 17111080) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide
PubChem CID17111080
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc45)cc3n2)cc1
InChIInChI=1S/C27H24N4O3/c1-3-33-21-13-11-20(12-14-21)31-29-24-15-18(2)23(16-25(24)30-31)28-27(32)17-34-26-10-6-8-19-7-4-5-9-22(19)26/h4-16H,3,17H2,1-2H3,(H,28,32)
InChIKeyNPHSUAAKGHXOJT-UHFFFAOYSA-N
XLogP5.30
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 1324519
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 168522128
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3405005
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2-(4-nitrophenoxy)acetamide
CID 1291742
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 3641417
2-(4-tert-butylphenoxy)-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17111095
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 23793528

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide (CID 17111080) is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide is CCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc45)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is NPHSUAAKGHXOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-3-33-21-13-11-20(12-14-21)31-29-24-15-18(2)23(16-25(24)30-31)28-27(32)17-34-26-10-6-8-19-7-4-5-9-22(19)26/h4-16H,3,17H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide?
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 452.51 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 17111080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).