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

C18H20N4O2 — CID 806738

IUPACN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)CC)cc3n2)cc1
InChIInChI=1S/C18H20N4O2/c1-4-18(23)19-15-11-17-16(10-12(15)3)20-22(21-17)13-6-8-14(9-7-13)24-5-2/h6-11H,4-5H2,1-3H3,(H,19,23)
InChIKeyBGTDQXXGWXSWQY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.48
Rot. Bonds5

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

N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide (PubChem CID 806738) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
PubChem CID806738
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)CC)cc3n2)cc1
InChIInChI=1S/C18H20N4O2/c1-4-18(23)19-15-11-17-16(10-12(15)3)20-22(21-17)13-6-8-14(9-7-13)24-5-2/h6-11H,4-5H2,1-3H3,(H,19,23)
InChIKeyBGTDQXXGWXSWQY-UHFFFAOYSA-N
XLogP3.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 168522128
2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 1324519
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide
CID 17111080
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
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
3-ethoxy-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 1345438
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 23793528
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide
CID 1324228
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 3641417

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide (CID 806738) is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide is CCOc1ccc(-n2nc3cc(C)c(NC(=O)CC)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The InChIKey is BGTDQXXGWXSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-18(23)19-15-11-17-16(10-12(15)3)20-22(21-17)13-6-8-14(9-7-13)24-5-2/h6-11H,4-5H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide is sourced from PubChem (CID 806738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).