N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

C31H38N2O2 — CID 6385300

IUPACN-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H38N2O2/c1-7-28(25-15-13-24(14-16-25)23-11-9-8-10-12-23)32-33-29(34)21-35-27-19-17-26(18-20-27)31(5,6)22-30(2,3)4/h8-20H,7,21-22H2,1-6H3,(H,33,34)/b32-28+
InChIKeyVWTIKIJTPSJVHF-VEWQFJOQSA-N
MW470.66 g/mol
LogP7.38
Rot. Bonds9

About N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (PubChem CID 6385300) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
PubChem CID6385300
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC NameN-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H38N2O2/c1-7-28(25-15-13-24(14-16-25)23-11-9-8-10-12-23)32-33-29(34)21-35-27-19-17-26(18-20-27)31(5,6)22-30(2,3)4/h8-20H,7,21-22H2,1-6H3,(H,33,34)/b32-28+
InChIKeyVWTIKIJTPSJVHF-VEWQFJOQSA-N
XLogP7.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
N-[1-(4-ethylphenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3954033
2-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]propanoic acid
CID 4589828
N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
CID 3270938
2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-(1-phenylpropylideneamino)acetamide
CID 2835672
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19178629
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3548730

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (CID 6385300) is N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is CC/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The InChIKey is VWTIKIJTPSJVHF-VEWQFJOQSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-7-28(25-15-13-24(14-16-25)23-11-9-8-10-12-23)32-33-29(34)21-35-27-19-17-26(18-20-27)31(5,6)22-30(2,3)4/h8-20H,7,21-22H2,1-6H3,(H,33,34)/b32-28+.
What are the key properties of N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide has a molecular weight of 470.66 g/mol, XLogP of 7.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 6385300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).