2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide

C14H19N5O2 — CID 173120186

IUPAC2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide
SMILESCCCCOC(C(N)=O)c1nnnn1Cc1ccccc1
InChIInChI=1S/C14H19N5O2/c1-2-3-9-21-12(13(15)20)14-16-17-18-19(14)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H2,15,20)
InChIKeyAPZNXXLUDOMWRI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.06
Rot. Bonds8

About 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide

2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide (PubChem CID 173120186) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide
PubChem CID173120186
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide
SMILESCCCCOC(C(N)=O)c1nnnn1Cc1ccccc1
InChIInChI=1S/C14H19N5O2/c1-2-3-9-21-12(13(15)20)14-16-17-18-19(14)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H2,15,20)
InChIKeyAPZNXXLUDOMWRI-UHFFFAOYSA-N
XLogP1.06
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
1-benzyltetrazole-5-carboxamide
CID 122714819
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7396290
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
CID 163754312
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
[1-(1-benzyltetrazol-5-yl)-2-phenylethyl]hydrazine
CID 132531197
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
butyl 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 56807150
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide (CID 173120186) is 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide is CCCCOC(C(N)=O)c1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide?
The InChIKey is APZNXXLUDOMWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-3-9-21-12(13(15)20)14-16-17-18-19(14)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H2,15,20).
What are the key properties of 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide?
2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide has a molecular weight of 289.34 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide is sourced from PubChem (CID 173120186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).