2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide

C22H28N2 — CID 89226507

IUPAC2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide
SMILES[H]/N=C(\N)C(Cc1ccc(C(=C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2/c1-15(2)17-8-6-16(7-9-17)14-20(21(23)24)18-10-12-19(13-11-18)22(3,4)5/h6-13,20H,1,14H2,2-5H3,(H3,23,24)
InChIKeyVQXNTNXBWHUVTR-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.28
Rot. Bonds5

About 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide

2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide (PubChem CID 89226507) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide
PubChem CID89226507
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide
SMILES[H]/N=C(\N)C(Cc1ccc(C(=C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2/c1-15(2)17-8-6-16(7-9-17)14-20(21(23)24)18-10-12-19(13-11-18)22(3,4)5/h6-13,20H,1,14H2,2-5H3,(H3,23,24)
InChIKeyVQXNTNXBWHUVTR-UHFFFAOYSA-N
XLogP5.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide (CID 89226507) is 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide is [H]/N=C(\N)C(Cc1ccc(C(=C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide?
The InChIKey is VQXNTNXBWHUVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-15(2)17-8-6-16(7-9-17)14-20(21(23)24)18-10-12-19(13-11-18)22(3,4)5/h6-13,20H,1,14H2,2-5H3,(H3,23,24).
What are the key properties of 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide?
2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide has a molecular weight of 320.48 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-(4-prop-1-en-2-ylphenyl)propanimidamide is sourced from PubChem (CID 89226507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).