2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide

C21H26N2O2 — CID 6389989

IUPAC2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(C(C)CC)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-16(3)17-11-13-19(14-12-17)25-15-21(24)23-22-20(5-2)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,23,24)/b22-20+
InChIKeyNXZJXXAPOGQKPY-LSDHQDQOSA-N
MW338.45 g/mol
LogP4.51
Rot. Bonds8

About 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide

2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide (PubChem CID 6389989) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
PubChem CID6389989
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(C(C)CC)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-16(3)17-11-13-19(14-12-17)25-15-21(24)23-22-20(5-2)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,23,24)/b22-20+
InChIKeyNXZJXXAPOGQKPY-LSDHQDQOSA-N
XLogP4.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.51
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'}

Analyze 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982206
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135588966
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide
CID 54785064
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
CID 6231630
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922259
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 2965039
N-[(3-methyl-1-phenylbutylidene)amino]-2-naphthalen-2-yloxyacetamide
CID 4605670
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide (CID 6389989) is 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide is CC/C(=N\NC(=O)COc1ccc(C(C)CC)cc1)c1ccccc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
The InChIKey is NXZJXXAPOGQKPY-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-16(3)17-11-13-19(14-12-17)25-15-21(24)23-22-20(5-2)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,23,24)/b22-20+.
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide is sourced from PubChem (CID 6389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).