N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C23H24N2O4 — CID 135987122

IUPACN-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)oc2O)c1
InChIInChI=1S/C23H24N2O4/c1-15(2)19-10-9-16(3)11-21(19)28-14-22(26)25-24-13-18-12-20(29-23(18)27)17-7-5-4-6-8-17/h4-13,15,27H,14H2,1-3H3,(H,25,26)/b24-13+
InChIKeyAYWMVTWMFRNSOF-ZMOGYAJESA-N
MW392.46 g/mol
LogP4.61
Rot. Bonds7

About N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 135987122) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID135987122
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)oc2O)c1
InChIInChI=1S/C23H24N2O4/c1-15(2)19-10-9-16(3)11-21(19)28-14-22(26)25-24-13-18-12-20(29-23(18)27)17-7-5-4-6-8-17/h4-13,15,27H,14H2,1-3H3,(H,25,26)/b24-13+
InChIKeyAYWMVTWMFRNSOF-ZMOGYAJESA-N
XLogP4.61
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135620342
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885510
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885310
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5457854
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6869999
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 135987122) is N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)oc2O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is AYWMVTWMFRNSOF-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15(2)19-10-9-16(3)11-21(19)28-14-22(26)25-24-13-18-12-20(29-23(18)27)17-7-5-4-6-8-17/h4-13,15,27H,14H2,1-3H3,(H,25,26)/b24-13+.
What are the key properties of N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135987122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).