4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide

C20H26N2O — CID 159651622

IUPAC4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CCCOc1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-20(2,3)17-11-9-15(10-12-17)16-6-4-7-18(14-16)23-13-5-8-19(21)22/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H3,21,22)
InChIKeyMRQIPQJPKFAGIW-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.75
Rot. Bonds6

About 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide

4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide (PubChem CID 159651622) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide
PubChem CID159651622
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CCCOc1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-20(2,3)17-11-9-15(10-12-17)16-6-4-7-18(14-16)23-13-5-8-19(21)22/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H3,21,22)
InChIKeyMRQIPQJPKFAGIW-UHFFFAOYSA-N
XLogP4.75
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide?
The IUPAC name of 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide (CID 159651622) is 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide.
What is the SMILES notation for 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide?
The canonical SMILES for 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide is [H]/N=C(\N)CCCOc1cccc(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide?
The InChIKey is MRQIPQJPKFAGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2,3)17-11-9-15(10-12-17)16-6-4-7-18(14-16)23-13-5-8-19(21)22/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H3,21,22).
What are the key properties of 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide?
4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide has a molecular weight of 310.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide is sourced from PubChem (CID 159651622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).