2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine

C25H32N2O2 — CID 144798999

IUPAC2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine
SMILESC=C/C=C\c1c(C)cccc1/C(=N\OCCN(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C25H32N2O2/c1-6-9-12-23-20(4)11-10-13-24(23)25(21-14-16-22(28-5)17-15-21)26-29-19-18-27(7-2)8-3/h6,9-17H,1,7-8,18-19H2,2-5H3/b12-9-,26-25-
InChIKeySSZJUHUGGVQRGI-YBCAGIJDSA-N
MW392.54 g/mol
LogP5.31
Rot. Bonds11

About 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine

2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine (PubChem CID 144798999) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine
PubChem CID144798999
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine
SMILESC=C/C=C\c1c(C)cccc1/C(=N\OCCN(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C25H32N2O2/c1-6-9-12-23-20(4)11-10-13-24(23)25(21-14-16-22(28-5)17-15-21)26-29-19-18-27(7-2)8-3/h6,9-17H,1,7-8,18-19H2,2-5H3/b12-9-,26-25-
InChIKeySSZJUHUGGVQRGI-YBCAGIJDSA-N
XLogP5.31
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-1-[1-(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 143770467
N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
N,N-diethyl-2-[[(4-methylsulfanylphenyl)-naphthalen-1-ylmethylidene]amino]oxyethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 122619796
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478
1-methoxy-4-[1-(2-methylphenyl)ethenyl]benzene
CID 25187424
2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone
CID 19895394
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
CID 6913690
[4-[(Z)-N-[2-(dimethylamino)ethoxy]-C-naphthalen-1-ylcarbonimidoyl]phenyl]methanethiol
CID 122629892
N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine
CID 173416033
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
N,N-diethyl-2-[[(4-fluorophenyl)-pyridin-3-ylmethylidene]amino]oxyethanamine;oxalic acid
CID 73449276

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine (CID 144798999) is 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine is C=C/C=C\c1c(C)cccc1/C(=N\OCCN(CC)CC)c1ccc(OC)cc1.
What is the InChIKey of 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine?
The InChIKey is SSZJUHUGGVQRGI-YBCAGIJDSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-6-9-12-23-20(4)11-10-13-24(23)25(21-14-16-22(28-5)17-15-21)26-29-19-18-27(7-2)8-3/h6,9-17H,1,7-8,18-19H2,2-5H3/b12-9-,26-25-.
What are the key properties of 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine?
2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine has a molecular weight of 392.54 g/mol, XLogP of 5.31, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[[2-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-(4-methoxyphenyl)methylidene]amino]oxy-N,N-diethylethanamine is sourced from PubChem (CID 144798999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).