N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C22H28N2O2 — CID 6534609

IUPACN-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCCC/C(=N/NC(=O)COc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-5-14-20(18-11-7-6-8-12-18)23-24-22(25)16-26-21-15-10-9-13-19(21)17(2)3/h6-13,15,17H,4-5,14,16H2,1-3H3,(H,24,25)/b23-20-
InChIKeyUDUCXPVWVKADRE-ATJXCDBQSA-N
MW352.48 g/mol
LogP4.90
Rot. Bonds9

About N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 6534609) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID6534609
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCCC/C(=N/NC(=O)COc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-5-14-20(18-11-7-6-8-12-18)23-24-22(25)16-26-21-15-10-9-13-19(21)17(2)3/h6-13,15,17H,4-5,14,16H2,1-3H3,(H,24,25)/b23-20-
InChIKeyUDUCXPVWVKADRE-ATJXCDBQSA-N
XLogP4.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.90
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-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
CID 6527293
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135609478
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
N-(1-phenylpentylideneamino)octanamide
CID 4676930
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 6534609) is N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is CCCC/C(=N/NC(=O)COc1ccccc1C(C)C)c1ccccc1.
What is the InChIKey of N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is UDUCXPVWVKADRE-ATJXCDBQSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-5-14-20(18-11-7-6-8-12-18)23-24-22(25)16-26-21-15-10-9-13-19(21)17(2)3/h6-13,15,17H,4-5,14,16H2,1-3H3,(H,24,25)/b23-20-.
What are the key properties of N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 6534609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).