2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

C14H19N5O2 — CID 851477

IUPAC2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C14H19N5O2/c1-3-9-19-14(16-17-18-19)15-13(20)10-21-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,18,20)
InChIKeyGZCSHEBTBDRCRD-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.66
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (PubChem CID 851477) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
PubChem CID851477
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(CC)cc1
InChIInChI=1S/C14H19N5O2/c1-3-9-19-14(16-17-18-19)15-13(20)10-21-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,18,20)
InChIKeyGZCSHEBTBDRCRD-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-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
1-(4-Octylphenoxy)-3-(tetrazol-1-yl)propan-2-one
CID 132819845
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-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
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
2-(4-Chloro-2-methyl-phenoxy)-N-(1-propyl-1H-tetrazol-5-yl)-acetamide
CID 2066641
2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851476
2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851478

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (CID 851477) is 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide is CCCn1nnnc1NC(=O)COc1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The InChIKey is GZCSHEBTBDRCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-9-19-14(16-17-18-19)15-13(20)10-21-12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16,18,20).
What are the key properties of 2-(4-ethylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
2-(4-ethylphenoxy)-N-(1-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-(1-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 851477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).