2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide

C26H36N2O2 — CID 142162801

IUPAC2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide
SMILES[H]/N=C(\N)C(Oc1c(CCC)cc(C(=O)CC)cc1CCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H36N2O2/c1-6-9-20-15-22(23(29)8-3)16-21(10-7-2)24(20)30-25(26(27)28)19-13-11-18(12-14-19)17(4)5/h11-17,25H,6-10H2,1-5H3,(H3,27,28)
InChIKeyXXESAIDAFBXAMC-UHFFFAOYSA-N
MW408.59 g/mol
LogP6.36
Rot. Bonds11

About 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide

2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide (PubChem CID 142162801) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide
PubChem CID142162801
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide
SMILES[H]/N=C(\N)C(Oc1c(CCC)cc(C(=O)CC)cc1CCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H36N2O2/c1-6-9-20-15-22(23(29)8-3)16-21(10-7-2)24(20)30-25(26(27)28)19-13-11-18(12-14-19)17(4)5/h11-17,25H,6-10H2,1-5H3,(H3,27,28)
InChIKeyXXESAIDAFBXAMC-UHFFFAOYSA-N
XLogP6.36
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide?
The IUPAC name of 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide (CID 142162801) is 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide.
What is the SMILES notation for 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide?
The canonical SMILES for 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide is [H]/N=C(\N)C(Oc1c(CCC)cc(C(=O)CC)cc1CCC)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide?
The InChIKey is XXESAIDAFBXAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-6-9-20-15-22(23(29)8-3)16-21(10-7-2)24(20)30-25(26(27)28)19-13-11-18(12-14-19)17(4)5/h11-17,25H,6-10H2,1-5H3,(H3,27,28).
What are the key properties of 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide?
2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide has a molecular weight of 408.59 g/mol, XLogP of 6.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide is sourced from PubChem (CID 142162801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).