N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide

C16H24N6O3 — CID 964347

IUPACN-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2nn[nH]n2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H24N6O3/c1-5-24-13-8-11(9-17-15-19-21-22-20-15)6-7-12(13)25-10-14(23)18-16(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,18,23)(H2,17,19,20,21,22)
InChIKeyCEFPSSJPXAHZES-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.50
Rot. Bonds8

About N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide

N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide (PubChem CID 964347) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
PubChem CID964347
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC NameN-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2nn[nH]n2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H24N6O3/c1-5-24-13-8-11(9-17-15-19-21-22-20-15)6-7-12(13)25-10-14(23)18-16(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,18,23)(H2,17,19,20,21,22)
InChIKeyCEFPSSJPXAHZES-UHFFFAOYSA-N
XLogP1.50
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide (CID 964347) is N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide is CCOc1cc(CNc2nn[nH]n2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
The InChIKey is CEFPSSJPXAHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-5-24-13-8-11(9-17-15-19-21-22-20-15)6-7-12(13)25-10-14(23)18-16(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,18,23)(H2,17,19,20,21,22).
What are the key properties of N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide has a molecular weight of 348.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 964347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).