N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide

C19H21N5O2 — CID 3171708

IUPACN-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-4-26-17-7-5-15(6-8-17)19-21-23-24(22-19)12-18(25)20-16-10-13(2)9-14(3)11-16/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyWQVHRLBIFSPITI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.99
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide

N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 3171708) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID3171708
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-4-26-17-7-5-15(6-8-17)19-21-23-24(22-19)12-18(25)20-16-10-13(2)9-14(3)11-16/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyWQVHRLBIFSPITI-UHFFFAOYSA-N
XLogP2.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 1146774
N-(2,6-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 1136561
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3166708
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
CID 3136442
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3188672
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
CID 23800655
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide (CID 3171708) is N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide is CCOc1ccc(-c2nnn(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is WQVHRLBIFSPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-26-17-7-5-15(6-8-17)19-21-23-24(22-19)12-18(25)20-16-10-13(2)9-14(3)11-16/h5-11H,4,12H2,1-3H3,(H,20,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3171708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).