N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline

C15H22N2O2 — CID 157296356

IUPACN-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline
SMILESC/C=C/CNc1cc(C)c(OCC=NOC)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-5-6-7-16-14-10-12(2)15(13(3)11-14)19-9-8-17-18-4/h5-6,8,10-11,16H,7,9H2,1-4H3/b6-5+,17-8?
InChIKeyFNYNWENJKHIOAV-OWZKXSOQSA-N
MW262.35 g/mol
LogP3.30
Rot. Bonds7

About N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline

N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline (PubChem CID 157296356) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline
PubChem CID157296356
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline
SMILESC/C=C/CNc1cc(C)c(OCC=NOC)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-5-6-7-16-14-10-12(2)15(13(3)11-14)19-9-8-17-18-4/h5-6,8,10-11,16H,7,9H2,1-4H3/b6-5+,17-8?
InChIKeyFNYNWENJKHIOAV-OWZKXSOQSA-N
XLogP3.30
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline 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

3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-(2-methoxyiminoethyl)propan-1-amine
CID 161425468
(E)-3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-methoxypropan-1-imine
CID 59877744
4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline
CID 22963199
(Z)-2-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenoxy]-N-methoxyethanimine
CID 59905196
2-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxymethyl]phenoxy]-N-methoxyethanimine
CID 160879801
N-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-N-ethyl-2-(2-methoxyiminoethoxy)ethanamine
CID 158394086
(E)-2-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethylsulfonyl]-N-methoxyethanimine
CID 23379484
2-[[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butyl]phenyl]methoxy]-N-methoxyethanimine
CID 160958113
(E)-2-[[4-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octyl]phenyl]methoxy]-N-methoxyethanimine
CID 23379545
4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-ethyl-N-(2-methoxyiminoethyl)butan-1-amine
CID 158008725
(E)-3-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxypropan-1-imine
CID 22963143
(Z)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]phenyl]-N-methoxymethanimine
CID 91184024

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline?
The IUPAC name of N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline (CID 157296356) is N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline.
What is the SMILES notation for N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline?
The canonical SMILES for N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline is C/C=C/CNc1cc(C)c(OCC=NOC)c(C)c1.
What is the InChIKey of N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline?
The InChIKey is FNYNWENJKHIOAV-OWZKXSOQSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-6-7-16-14-10-12(2)15(13(3)11-14)19-9-8-17-18-4/h5-6,8,10-11,16H,7,9H2,1-4H3/b6-5+,17-8?.
What are the key properties of N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline?
N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline has a molecular weight of 262.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline is sourced from PubChem (CID 157296356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).