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

C15H23N7O3 — CID 834094

IUPAC2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
SMILESCOc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N7O3/c1-15(2,3)18-13(23)9-25-11-6-5-10(7-12(11)24-4)8-17-22-14(16)19-20-21-22/h5-7,17H,8-9H2,1-4H3,(H,18,23)(H2,16,19,21)
InChIKeyNKGYFNQPKZIZCI-UHFFFAOYSA-N
MW349.40 g/mol
LogP0.30
Rot. Bonds7

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

2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide (PubChem CID 834094) has the molecular formula C15H23N7O3 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
PubChem CID834094
Molecular FormulaC15H23N7O3
Molecular Weight349.40 g/mol
Exact Mass349.19
IUPAC Name2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
SMILESCOc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N7O3/c1-15(2,3)18-13(23)9-25-11-6-5-10(7-12(11)24-4)8-17-22-14(16)19-20-21-22/h5-7,17H,8-9H2,1-4H3,(H,18,23)(H2,16,19,21)
InChIKeyNKGYFNQPKZIZCI-UHFFFAOYSA-N
XLogP0.30
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclohexyl-2-{2-methoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}acetamide
CID 979530
2-{4-[(5-Amino-tetrazol-1-ylamino)-methyl]-phenoxy}-N-tert-butyl-acetamide
CID 654110
2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide
CID 1017319
N-tert-Butyl-2-{4-[(3-mercapto-[1,2,4]triazol-4-ylamino)-methyl]-2-methoxy-phenoxy}-acetamide
CID 1017361
N-cyclohexyl-2-{2-ethoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}acetamide
CID 1017572
N-tert-butyl-2-[2-methoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide
CID 834091
N-tert-Butyl-2-[2-methoxy-4-([1,2,4]triazol-4-ylaminomethyl)-phenoxy]-acetamide
CID 834090
2-(4-{[(5-amino-1H-tetrazol-1-yl)amino]methyl}-2-bromo-6-methoxyphenoxy)-N-(tert-butyl)acetamide
CID 1017340
N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
CID 964347
2-(4-{[(5-amino-1H-tetraazol-1-yl)amino]methyl}-2-ethoxyphenoxy)-N-(tert-butyl)acetamide
CID 1017334
N-tert-butyl-2-{2-ethoxy-4-[(1H-1,2,4-triazol-3-ylamino)methyl]phenoxy}acetamide
CID 2200299
2-[2-methoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
CID 961497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide (CID 834094) is 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide is COc1cc(CNn2nnnc2N)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
The InChIKey is NKGYFNQPKZIZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O3/c1-15(2,3)18-13(23)9-25-11-6-5-10(7-12(11)24-4)8-17-22-14(16)19-20-21-22/h5-7,17H,8-9H2,1-4H3,(H,18,23)(H2,16,19,21).
What are the key properties of 2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide?
2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-methoxyphenoxy]-N-tert-butylacetamide has a molecular weight of 349.40 g/mol, XLogP of 0.30, 7 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-methoxyphenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 834094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).