N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide

C18H17N3O3 — CID 42991602

IUPACN-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O3/c1-2-23-16-5-3-4-6-17(16)24-13-18(22)21-20-12-15-9-7-14(11-19)8-10-15/h3-10,12H,2,13H2,1H3,(H,21,22)/b20-12+
InChIKeyDXUUXKLFRBFTCV-UDWIEESQSA-N
MW323.35 g/mol
LogP2.49
Rot. Bonds7

About N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide

N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 42991602) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
PubChem CID42991602
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O3/c1-2-23-16-5-3-4-6-17(16)24-13-18(22)21-20-12-15-9-7-14(11-19)8-10-15/h3-10,12H,2,13H2,1H3,(H,21,22)/b20-12+
InChIKeyDXUUXKLFRBFTCV-UDWIEESQSA-N
XLogP2.49
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
2-[4-(4-cyanophenyl)phenoxy]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 42992132
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
2-(2-ethoxyphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 19189958
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide (CID 42991602) is N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)N/N=C/c1ccc(C#N)cc1.
What is the InChIKey of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is DXUUXKLFRBFTCV-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-23-16-5-3-4-6-17(16)24-13-18(22)21-20-12-15-9-7-14(11-19)8-10-15/h3-10,12H,2,13H2,1H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 42991602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).