2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C14H19N5O2 — CID 893388

IUPAC2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-3-9-19-17-14(16-18-19)15-13(20)10-21-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17,20)
InChIKeyQADFHWVDZUWJHT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.66
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 893388) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID893388
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-3-9-19-17-14(16-18-19)15-13(20)10-21-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17,20)
InChIKeyQADFHWVDZUWJHT-UHFFFAOYSA-N
XLogP1.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-{4-[(5-Amino-tetrazol-1-ylamino)-methyl]-phenoxy}-N-tert-butyl-acetamide
CID 654110
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
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-butyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2219063
2-(4-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 893388) is 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is QADFHWVDZUWJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-9-19-17-14(16-18-19)15-13(20)10-21-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,17,20).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 893388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).