2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide

C14H17N5O3 — CID 17046913

IUPAC2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
SMILESC=CCOc1ccc(-c2nnn(CC(N)=O)n2)cc1OCC
InChIInChI=1S/C14H17N5O3/c1-3-7-22-11-6-5-10(8-12(11)21-4-2)14-16-18-19(17-14)9-13(15)20/h3,5-6,8H,1,4,7,9H2,2H3,(H2,15,20)
InChIKeyLRAFAQYHMRVNDU-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.79
Rot. Bonds8

About 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide

2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 17046913) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID17046913
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
SMILESC=CCOc1ccc(-c2nnn(CC(N)=O)n2)cc1OCC
InChIInChI=1S/C14H17N5O3/c1-3-7-22-11-6-5-10(8-12(11)21-4-2)14-16-18-19(17-14)9-13(15)20/h3,5-6,8H,1,4,7,9H2,2H3,(H2,15,20)
InChIKeyLRAFAQYHMRVNDU-UHFFFAOYSA-N
XLogP0.79
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid
CID 5303488
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
2-[5-(3-amino-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 43831132
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 1175335
2-[5-(3-amino-4-methylphenyl)tetrazol-2-yl]acetamide
CID 28643040
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524048
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 8768217
2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
CID 19798533
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678093
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide (CID 17046913) is 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide is C=CCOc1ccc(-c2nnn(CC(N)=O)n2)cc1OCC.
What is the InChIKey of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is LRAFAQYHMRVNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-3-7-22-11-6-5-10(8-12(11)21-4-2)14-16-18-19(17-14)9-13(15)20/h3,5-6,8H,1,4,7,9H2,2H3,(H2,15,20).
What are the key properties of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide?
2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 17046913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).