N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide

C19H18N6O3 — CID 1454689

IUPACN-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3c[nH]c4ccccc34)n2)c(OC)c1
InChIInChI=1S/C19H18N6O3/c1-27-12-7-8-16(17(9-12)28-2)21-18(26)11-25-23-19(22-24-25)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3,(H,21,26)
InChIKeyMAIYKOGWHYAIRU-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.48
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide (PubChem CID 1454689) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
PubChem CID1454689
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3c[nH]c4ccccc34)n2)c(OC)c1
InChIInChI=1S/C19H18N6O3/c1-27-12-7-8-16(17(9-12)28-2)21-18(26)11-25-23-19(22-24-25)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3,(H,21,26)
InChIKeyMAIYKOGWHYAIRU-UHFFFAOYSA-N
XLogP2.48
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1454693
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
N-(2,4-dimethoxyphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636221
N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
CID 1440057
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide
CID 137219877
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
1-(1H-indol-3-yl)-2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethanone
CID 1175397
N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4119346
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241487
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958497

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide (CID 1454689) is N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide is COc1ccc(NC(=O)Cn2nnc(-c3c[nH]c4ccccc34)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide?
The InChIKey is MAIYKOGWHYAIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-27-12-7-8-16(17(9-12)28-2)21-18(26)11-25-23-19(22-24-25)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3,(H,21,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide has a molecular weight of 378.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1454689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).