N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

C18H20N2O3 — CID 3684670

IUPACN-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NN=Cc2ccccc2O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-5-14-8-10-16(11-9-14)23-13-18(22)20-19-12-15-6-3-4-7-17(15)21/h3-4,6-12,21H,2,5,13H2,1H3,(H,20,22)
InChIKeyUNMFDIFMYJZBGL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds7

About N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (PubChem CID 3684670) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
PubChem CID3684670
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NN=Cc2ccccc2O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-5-14-8-10-16(11-9-14)23-13-18(22)20-19-12-15-6-3-4-7-17(15)21/h3-4,6-12,21H,2,5,13H2,1H3,(H,20,22)
InChIKeyUNMFDIFMYJZBGL-UHFFFAOYSA-N
XLogP2.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135726599
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135665062
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 787794
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135615022
N-[(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604432
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide
CID 135781552
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661557
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 917786

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (CID 3684670) is N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)NN=Cc2ccccc2O)cc1.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The InChIKey is UNMFDIFMYJZBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-5-14-8-10-16(11-9-14)23-13-18(22)20-19-12-15-6-3-4-7-17(15)21/h3-4,6-12,21H,2,5,13H2,1H3,(H,20,22).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 3684670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).