N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

C18H20N2O3 — CID 968708

IUPACN-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccccc1C=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-17-7-5-4-6-15(17)13-19-20-18(21)12-14-8-10-16(22-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyVQJBQISEAJTKSI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds7

About N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 968708) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID968708
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccccc1C=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-17-7-5-4-6-15(17)13-19-20-18(21)12-14-8-10-16(22-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyVQJBQISEAJTKSI-UHFFFAOYSA-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-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5213834
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359
2-(4-chlorophenyl)-N-[(E)-(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 51061462
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 4569895
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3510174
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
2-(4-methoxyphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6258756
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 968708) is N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is CCOc1ccccc1C=NNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VQJBQISEAJTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-17-7-5-4-6-15(17)13-19-20-18(21)12-14-8-10-16(22-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide 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-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 968708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).