N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide

C14H19N5O2 — CID 2472603

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)10-5-6-12(21-4)11(7-10)16-13(20)8-19-9-15-17-18-19/h5-7,9H,8H2,1-4H3,(H,16,20)
InChIKeyYLQVRVJOFTVYLG-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.62
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 2472603) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID2472603
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)10-5-6-12(21-4)11(7-10)16-13(20)8-19-9-15-17-18-19/h5-7,9H,8H2,1-4H3,(H,16,20)
InChIKeyYLQVRVJOFTVYLG-UHFFFAOYSA-N
XLogP1.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide (CID 2472603) is N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide is COc1ccc(C(C)(C)C)cc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is YLQVRVJOFTVYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(2,3)10-5-6-12(21-4)11(7-10)16-13(20)8-19-9-15-17-18-19/h5-7,9H,8H2,1-4H3,(H,16,20).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2472603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).