2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide

C21H26N2O2 — CID 4922259

IUPAC2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide
SMILESCCC(C)c1ccc(OCC(=O)NN=CCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-17(2)19-11-13-20(14-12-19)25-16-21(24)23-22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3,(H,23,24)
InChIKeySZJQIALHFQHKNG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.31
Rot. Bonds9

About 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide

2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide (PubChem CID 4922259) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide
PubChem CID4922259
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide
SMILESCCC(C)c1ccc(OCC(=O)NN=CCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-17(2)19-11-13-20(14-12-19)25-16-21(24)23-22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3,(H,23,24)
InChIKeySZJQIALHFQHKNG-UHFFFAOYSA-N
XLogP4.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.31
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

N-[(E)-3-phenylpropylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 6231205
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982206
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922253
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4923323
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 2965039
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 7368753
2-(4-butan-2-ylphenoxy)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135644121
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135905897
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide (CID 4922259) is 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide is CCC(C)c1ccc(OCC(=O)NN=CCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
The InChIKey is SZJQIALHFQHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-17(2)19-11-13-20(14-12-19)25-16-21(24)23-22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide?
2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.31, 9 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-(3-phenylpropylideneamino)acetamide is sourced from PubChem (CID 4922259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).