2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide

C14H19N5O3 — CID 3188672

IUPAC2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCCOC)n2)cc1
InChIInChI=1S/C14H19N5O3/c1-3-22-12-6-4-11(5-7-12)14-16-18-19(17-14)10-13(20)15-8-9-21-2/h4-7H,3,8-10H2,1-2H3,(H,15,20)
InChIKeyGAXDUOTVTSTLSK-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.50
Rot. Bonds8

About 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 3188672) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID3188672
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCCOC)n2)cc1
InChIInChI=1S/C14H19N5O3/c1-3-22-12-6-4-11(5-7-12)14-16-18-19(17-14)10-13(20)15-8-9-21-2/h4-7H,3,8-10H2,1-2H3,(H,15,20)
InChIKeyGAXDUOTVTSTLSK-UHFFFAOYSA-N
XLogP0.50
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598220
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 649183
N-(2,6-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 1136561
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 1146774
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 644791
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
CID 1134074

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide (CID 3188672) is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide is CCOc1ccc(-c2nnn(CC(=O)NCCOC)n2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GAXDUOTVTSTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-3-22-12-6-4-11(5-7-12)14-16-18-19(17-14)10-13(20)15-8-9-21-2/h4-7H,3,8-10H2,1-2H3,(H,15,20).
What are the key properties of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide?
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3188672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).