2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide

C20H24N2O3 — CID 3559145

IUPAC2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
SMILESCCCCC(=NNC(=O)COc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-4-10-19(16-8-6-5-7-9-16)21-22-20(23)15-25-18-13-11-17(24-2)12-14-18/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23)
InChIKeyMJNCRLHLTZBZKQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.78
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide

2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide (PubChem CID 3559145) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
PubChem CID3559145
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
SMILESCCCCC(=NNC(=O)COc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-4-10-19(16-8-6-5-7-9-16)21-22-20(23)15-25-18-13-11-17(24-2)12-14-18/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23)
InChIKeyMJNCRLHLTZBZKQ-UHFFFAOYSA-N
XLogP3.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 6534609
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
N-(1-phenylpentylideneamino)octanamide
CID 4676930
2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
CID 6527293
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide (CID 3559145) is 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide is CCCCC(=NNC(=O)COc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide?
The InChIKey is MJNCRLHLTZBZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-4-10-19(16-8-6-5-7-9-16)21-22-20(23)15-25-18-13-11-17(24-2)12-14-18/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide?
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide is sourced from PubChem (CID 3559145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).