N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

C18H17N9O — CID 3382696

IUPACN-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1
InChIInChI=1S/C18H17N9O/c1-2-13-7-9-14(10-8-13)20-17(28)11-27-22-18(21-24-27)15-5-3-4-6-16(15)26-12-19-23-25-26/h3-10,12H,2,11H2,1H3,(H,20,28)
InChIKeyIEEHNUGBCFLIGB-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.52
Rot. Bonds6

About N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 3382696) has the molecular formula C18H17N9O and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
PubChem CID3382696
Molecular FormulaC18H17N9O
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1
InChIInChI=1S/C18H17N9O/c1-2-13-7-9-14(10-8-13)20-17(28)11-27-22-18(21-24-27)15-5-3-4-6-16(15)26-12-19-23-25-26/h3-10,12H,2,11H2,1H3,(H,20,28)
InChIKeyIEEHNUGBCFLIGB-UHFFFAOYSA-N
XLogP1.52
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(oxolan-2-ylmethyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 3195221
N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 1455344
2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1455314
N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 1455340
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1154537

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (CID 3382696) is N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is IEEHNUGBCFLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O/c1-2-13-7-9-14(10-8-13)20-17(28)11-27-22-18(21-24-27)15-5-3-4-6-16(15)26-12-19-23-25-26/h3-10,12H,2,11H2,1H3,(H,20,28).
What are the key properties of N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 375.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3382696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).