N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

C20H24N2O2 — CID 6231205

IUPACN-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N/N=C/CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16(2)18-10-12-19(13-11-18)24-15-20(23)22-21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-14,16H,6,9,15H2,1-2H3,(H,22,23)/b21-14+
InChIKeyZONKKFLDNCKASW-KGENOOAVSA-N
MW324.42 g/mol
LogP3.92
Rot. Bonds8

About N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide

N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 6231205) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID6231205
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)N/N=C/CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16(2)18-10-12-19(13-11-18)24-15-20(23)22-21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-14,16H,6,9,15H2,1-2H3,(H,22,23)/b21-14+
InChIKeyZONKKFLDNCKASW-KGENOOAVSA-N
XLogP3.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.92
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-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922259
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
N-(naphthalen-1-ylmethylideneamino)-2-(4-propan-2-ylphenoxy)acetamide
CID 927198
4-[(E)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190230
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
CID 4922169
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922253
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 129439170
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420715

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide (CID 6231205) is N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)N/N=C/CCc2ccccc2)cc1.
What is the InChIKey of N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is ZONKKFLDNCKASW-KGENOOAVSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(2)18-10-12-19(13-11-18)24-15-20(23)22-21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-14,16H,6,9,15H2,1-2H3,(H,22,23)/b21-14+.
What are the key properties of N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 6231205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).