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

C20H24N2O2 — CID 4634362

IUPAC2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
SMILESCCCCC(=NNC(=O)COc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-4-10-19(17-8-6-5-7-9-17)21-22-20(23)15-24-18-13-11-16(2)12-14-18/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23)
InChIKeyLERILAYGVDZWBU-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.08
Rot. Bonds8

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

2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide (PubChem CID 4634362) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
PubChem CID4634362
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
SMILESCCCCC(=NNC(=O)COc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-4-10-19(17-8-6-5-7-9-17)21-22-20(23)15-24-18-13-11-16(2)12-14-18/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,22,23)
InChIKeyLERILAYGVDZWBU-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 6534609
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
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
N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
CID 54784739
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide (CID 4634362) is 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide is CCCCC(=NNC(=O)COc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide?
The InChIKey is LERILAYGVDZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-10-19(17-8-6-5-7-9-17)21-22-20(23)15-24-18-13-11-16(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-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide?
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide has a molecular weight of 324.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide is sourced from PubChem (CID 4634362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).