2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide

C18H19N5O3 — CID 1164686

IUPAC2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-12-4-7-14(8-5-12)19-17(24)11-23-21-18(20-22-23)13-6-9-15(25-2)16(10-13)26-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyYNASCEKKRZQZHJ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.30
Rot. Bonds6

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

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 1164686) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID1164686
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-12-4-7-14(8-5-12)19-17(24)11-23-21-18(20-22-23)13-6-9-15(25-2)16(10-13)26-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyYNASCEKKRZQZHJ-UHFFFAOYSA-N
XLogP2.30
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
N-(2-methoxy-5-methylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 846173
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 8768217
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18777968
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(3S)-3-methylpent-1-yn-3-yl]acetamide
CID 7298641
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (CID 1164686) is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is COc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is YNASCEKKRZQZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-4-7-14(8-5-12)19-17(24)11-23-21-18(20-22-23)13-6-9-15(25-2)16(10-13)26-3/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1164686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).