4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline

C16H24N2O3 — CID 22963199

IUPAC4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline
SMILESC/C=C/COc1cc(C)c(NCOC/C=N/OC)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-5-6-8-21-15-10-13(2)16(14(3)11-15)17-12-20-9-7-18-19-4/h5-7,10-11,17H,8-9,12H2,1-4H3/b6-5+,18-7+
InChIKeyKBYURBSUBKFAFN-YIMHWZMDSA-N
MW292.38 g/mol
LogP3.28
Rot. Bonds9

About 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline

4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline (PubChem CID 22963199) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline
PubChem CID22963199
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline
SMILESC/C=C/COc1cc(C)c(NCOC/C=N/OC)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-5-6-8-21-15-10-13(2)16(14(3)11-15)17-12-20-9-7-18-19-4/h5-7,10-11,17H,8-9,12H2,1-4H3/b6-5+,18-7+
InChIKeyKBYURBSUBKFAFN-YIMHWZMDSA-N
XLogP3.28
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-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

(E)-3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-methoxypropan-1-imine
CID 59877744
3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-(2-methoxyiminoethyl)propan-1-amine
CID 161425468
N-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-N-ethyl-2-(2-methoxyiminoethoxy)ethanamine
CID 158394086
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
(E)-5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenyl]sulfanyl-N-methoxypentan-1-imine
CID 23379630
2-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxymethyl]phenoxy]-N-methoxyethanimine
CID 160879801
N-[(E)-but-2-enyl]-4-(2-methoxyiminoethoxy)-3,5-dimethylaniline
CID 157296356
(E)-2-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethylsulfonyl]-N-methoxyethanimine
CID 23379484
(Z)-2-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propyl]phenoxy]-N-methoxyethanimine
CID 59905196
4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-ethyl-N-(2-methoxyiminoethyl)butan-1-amine
CID 158008725
(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 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline (CID 22963199) is 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline is C/C=C/COc1cc(C)c(NCOC/C=N/OC)c(C)c1.
What is the InChIKey of 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline?
The InChIKey is KBYURBSUBKFAFN-YIMHWZMDSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-8-21-15-10-13(2)16(14(3)11-15)17-12-20-9-7-18-19-4/h5-7,10-11,17H,8-9,12H2,1-4H3/b6-5+,18-7+.
What are the key properties of 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline?
4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline has a molecular weight of 292.38 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-N-[[(2E)-2-methoxyiminoethoxy]methyl]-2,6-dimethylaniline is sourced from PubChem (CID 22963199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).