2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide

C19H19N5O2 — CID 3844389

IUPAC2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nnc(-c2ccc(-c3ccc(OC)cc3)cc2)n1
InChIInChI=1S/C19H19N5O2/c1-3-12-20-18(25)13-24-22-19(21-23-24)16-6-4-14(5-7-16)15-8-10-17(26-2)11-9-15/h3-11H,1,12-13H2,2H3,(H,20,25)
InChIKeyMRVYLLLLTIOEDV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.32
Rot. Bonds7

About 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide

2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide (PubChem CID 3844389) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide
PubChem CID3844389
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nnc(-c2ccc(-c3ccc(OC)cc3)cc2)n1
InChIInChI=1S/C19H19N5O2/c1-3-12-20-18(25)13-24-22-19(21-23-24)16-6-4-14(5-7-16)15-8-10-17(26-2)11-9-15/h3-11H,1,12-13H2,2H3,(H,20,25)
InChIKeyMRVYLLLLTIOEDV-UHFFFAOYSA-N
XLogP2.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide (CID 3844389) is 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nnc(-c2ccc(-c3ccc(OC)cc3)cc2)n1.
What is the InChIKey of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide?
The InChIKey is MRVYLLLLTIOEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-12-20-18(25)13-24-22-19(21-23-24)16-6-4-14(5-7-16)15-8-10-17(26-2)11-9-15/h3-11H,1,12-13H2,2H3,(H,20,25).
What are the key properties of 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide?
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide has a molecular weight of 349.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 3844389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).