N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C17H25N5O2 — CID 2219063

IUPACN-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C17H25N5O2/c1-5-6-9-22-20-17(19-21-22)18-16(23)11-24-15-10-13(4)7-8-14(15)12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20,23)
InChIKeyCOQIDSXBZNJQQZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.92
Rot. Bonds8

About N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2219063) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID2219063
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C17H25N5O2/c1-5-6-9-22-20-17(19-21-22)18-16(23)11-24-15-10-13(4)7-8-14(15)12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20,23)
InChIKeyCOQIDSXBZNJQQZ-UHFFFAOYSA-N
XLogP2.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(4-cyclohexylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893627
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(4-cyclohexylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 936003
2-(4-cyclohexylphenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 953175
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039
2-(2,3-dimethylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953413
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 2219062
2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 733458
2-(4-chloro-2-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893324

Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2219063) is N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is COQIDSXBZNJQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-6-9-22-20-17(19-21-22)18-16(23)11-24-15-10-13(4)7-8-14(15)12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20,23).
What are the key properties of N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2219063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).