2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide

C18H19N5O5 — CID 2104191

IUPAC2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O5/c1-25-15-8-12(9-16(26-2)18(15)27-3)20-17(24)10-28-14-6-4-13(5-7-14)23-11-19-21-22-23/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeySOZIFWNZTZYBLB-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.71
Rot. Bonds8

About 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2104191) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2104191
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O5/c1-25-15-8-12(9-16(26-2)18(15)27-3)20-17(24)10-28-14-6-4-13(5-7-14)23-11-19-21-22-23/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeySOZIFWNZTZYBLB-UHFFFAOYSA-N
XLogP1.71
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 2104191) is 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is SOZIFWNZTZYBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-25-15-8-12(9-16(26-2)18(15)27-3)20-17(24)10-28-14-6-4-13(5-7-14)23-11-19-21-22-23/h4-9,11H,10H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 385.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2104191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).