2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide

C16H24ClN7O3 — CID 1017319

IUPAC2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide
SMILESCCOc1cc(CNn2nnnc2N)cc(Cl)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H24ClN7O3/c1-5-26-12-7-10(8-19-24-15(18)21-22-23-24)6-11(17)14(12)27-9-13(25)20-16(2,3)4/h6-7,19H,5,8-9H2,1-4H3,(H,20,25)(H2,18,21,23)
InChIKeySVHMHIRZBSCPOK-UHFFFAOYSA-N
MW397.87 g/mol
LogP1.34
Rot. Bonds8

About 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide

2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide (PubChem CID 1017319) has the molecular formula C16H24ClN7O3 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide
PubChem CID1017319
Molecular FormulaC16H24ClN7O3
Molecular Weight397.87 g/mol
Exact Mass397.16
IUPAC Name2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide
SMILESCCOc1cc(CNn2nnnc2N)cc(Cl)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H24ClN7O3/c1-5-26-12-7-10(8-19-24-15(18)21-22-23-24)6-11(17)14(12)27-9-13(25)20-16(2,3)4/h6-7,19H,5,8-9H2,1-4H3,(H,20,25)(H2,18,21,23)
InChIKeySVHMHIRZBSCPOK-UHFFFAOYSA-N
XLogP1.34
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide (CID 1017319) is 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide is CCOc1cc(CNn2nnnc2N)cc(Cl)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide?
The InChIKey is SVHMHIRZBSCPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN7O3/c1-5-26-12-7-10(8-19-24-15(18)21-22-23-24)6-11(17)14(12)27-9-13(25)20-16(2,3)4/h6-7,19H,5,8-9H2,1-4H3,(H,20,25)(H2,18,21,23).
What are the key properties of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide?
2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide has a molecular weight of 397.87 g/mol, XLogP of 1.34, 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-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 1017319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).