[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate

C14H19NO3 — CID 138968016

IUPAC[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate
SMILESCOc1cccc(/C(C)=N/OC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H19NO3/c1-10(15-18-13(16)14(2,3)4)11-7-6-8-12(9-11)17-5/h6-9H,1-5H3/b15-10+
InChIKeyNWAMVTRLTZAHGL-XNTDXEJSSA-N
MW249.31 g/mol
LogP3.01
Rot. Bonds3

About [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate

[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate (PubChem CID 138968016) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate
PubChem CID138968016
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate
SMILESCOc1cccc(/C(C)=N/OC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H19NO3/c1-10(15-18-13(16)14(2,3)4)11-7-6-8-12(9-11)17-5/h6-9H,1-5H3/b15-10+
InChIKeyNWAMVTRLTZAHGL-XNTDXEJSSA-N
XLogP3.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine
CID 72592560
(1-thianthren-2-ylethylideneamino) 2-(4-methoxyphenoxy)-2-methylpropanoate
CID 123162311
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate (CID 138968016) is [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate is COc1cccc(/C(C)=N/OC(=O)C(C)(C)C)c1.
What is the InChIKey of [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate?
The InChIKey is NWAMVTRLTZAHGL-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(15-18-13(16)14(2,3)4)11-7-6-8-12(9-11)17-5/h6-9H,1-5H3/b15-10+.
What are the key properties of [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate?
[(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate has a molecular weight of 249.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(3-methoxyphenyl)ethylideneamino] 2,2-dimethylpropanoate is sourced from PubChem (CID 138968016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).