N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide

C18H20N2O3 — CID 110515359

IUPACN-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCCOc1cccc(/C=N\NC(=O)Cc2ccccc2)c1OC
InChIInChI=1S/C18H20N2O3/c1-3-23-16-11-7-10-15(18(16)22-2)13-19-20-17(21)12-14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-
InChIKeyIGCKXRPTEJPJEB-UYRXBGFRSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds7

About N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide

N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 110515359) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID110515359
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCCOc1cccc(/C=N\NC(=O)Cc2ccccc2)c1OC
InChIInChI=1S/C18H20N2O3/c1-3-23-16-11-7-10-15(18(16)22-2)13-19-20-17(21)12-14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-
InChIKeyIGCKXRPTEJPJEB-UYRXBGFRSA-N
XLogP2.79
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
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

N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126252327
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide
CID 110525403
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
1-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-methylthiourea
CID 110508409
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6018671
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 110506784

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide (CID 110515359) is N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide is CCOc1cccc(/C=N\NC(=O)Cc2ccccc2)c1OC.
What is the InChIKey of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is IGCKXRPTEJPJEB-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-16-11-7-10-15(18(16)22-2)13-19-20-17(21)12-14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 110515359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).