N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide

C17H18N4O3 — CID 90125308

IUPACN-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
SMILESCOc1ccc(N(C)C(=O)COc2cccc(-n3cn[nH]3)c2)cc1
InChIInChI=1S/C17H18N4O3/c1-20(13-6-8-15(23-2)9-7-13)17(22)11-24-16-5-3-4-14(10-16)21-12-18-19-21/h3-10,12,19H,11H2,1-2H3
InChIKeyCTWHASIEYXDZHF-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.25
Rot. Bonds6

About N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide

N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide (PubChem CID 90125308) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
PubChem CID90125308
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
SMILESCOc1ccc(N(C)C(=O)COc2cccc(-n3cn[nH]3)c2)cc1
InChIInChI=1S/C17H18N4O3/c1-20(13-6-8-15(23-2)9-7-13)17(22)11-24-16-5-3-4-14(10-16)21-12-18-19-21/h3-10,12,19H,11H2,1-2H3
InChIKeyCTWHASIEYXDZHF-UHFFFAOYSA-N
XLogP2.25
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 72705757
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-[4-(4-methoxy-N-nitrosoanilino)phenoxy]-N-methyl-N-pyridin-3-ylacetamide
CID 10408190
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 118423929
N-methyl-N-phenyl-2-quinolin-6-yloxyacetamide
CID 112978659
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide (CID 90125308) is N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide is COc1ccc(N(C)C(=O)COc2cccc(-n3cn[nH]3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
The InChIKey is CTWHASIEYXDZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-20(13-6-8-15(23-2)9-7-13)17(22)11-24-16-5-3-4-14(10-16)21-12-18-19-21/h3-10,12,19H,11H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide?
N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-[3-(2H-triazet-1-yl)phenoxy]acetamide is sourced from PubChem (CID 90125308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).