N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide

C20H22N2O3 — CID 5196388

IUPACN-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCC1
InChIInChI=1S/C20H22N2O3/c23-20(22-21-17-8-4-5-9-17)15-25-19-12-10-18(11-13-19)24-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,22,23)
InChIKeyYKNXHXYSSWHJIH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.69
Rot. Bonds7

About N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide

N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 5196388) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID5196388
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCC1
InChIInChI=1S/C20H22N2O3/c23-20(22-21-17-8-4-5-9-17)15-25-19-12-10-18(11-13-19)24-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,22,23)
InChIKeyYKNXHXYSSWHJIH-UHFFFAOYSA-N
XLogP3.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (CID 5196388) is N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is YKNXHXYSSWHJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(22-21-17-8-4-5-9-17)15-25-19-12-10-18(11-13-19)24-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H,22,23).
What are the key properties of N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 5196388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).