2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide

C16H25N7O3 — CID 1017334

IUPAC2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
SMILESCCOc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H25N7O3/c1-5-25-13-8-11(9-18-23-15(17)20-21-22-23)6-7-12(13)26-10-14(24)19-16(2,3)4/h6-8,18H,5,9-10H2,1-4H3,(H,19,24)(H2,17,20,22)
InChIKeyHAJKCHWPCJCFQF-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.69
Rot. Bonds8

About 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide

2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide (PubChem CID 1017334) has the molecular formula C16H25N7O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
PubChem CID1017334
Molecular FormulaC16H25N7O3
Molecular Weight363.42 g/mol
Exact Mass363.20
IUPAC Name2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
SMILESCCOc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H25N7O3/c1-5-25-13-8-11(9-18-23-15(17)20-21-22-23)6-7-12(13)26-10-14(24)19-16(2,3)4/h6-8,18H,5,9-10H2,1-4H3,(H,19,24)(H2,17,20,22)
InChIKeyHAJKCHWPCJCFQF-UHFFFAOYSA-N
XLogP0.69
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide (CID 1017334) is 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide is CCOc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
The InChIKey is HAJKCHWPCJCFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O3/c1-5-25-13-8-11(9-18-23-15(17)20-21-22-23)6-7-12(13)26-10-14(24)19-16(2,3)4/h6-8,18H,5,9-10H2,1-4H3,(H,19,24)(H2,17,20,22).
What are the key properties of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide?
2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide has a molecular weight of 363.42 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 1017334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).