2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine

C24H34N4O — CID 143568923

IUPAC2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine
SMILESCCOc1cc(N(CC)CC)ccc1N(C)/N=C/C/C=C\c1ccccc1NC
InChIInChI=1S/C24H34N4O/c1-6-28(7-2)21-16-17-23(24(19-21)29-8-3)27(5)26-18-12-11-14-20-13-9-10-15-22(20)25-4/h9-11,13-19,25H,6-8,12H2,1-5H3/b14-11-,26-18+
InChIKeyAHESFGTZHNGFTM-OLHPPVPKSA-N
MW394.56 g/mol
LogP5.50
Rot. Bonds11

About 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine

2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine (PubChem CID 143568923) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine
PubChem CID143568923
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine
SMILESCCOc1cc(N(CC)CC)ccc1N(C)/N=C/C/C=C\c1ccccc1NC
InChIInChI=1S/C24H34N4O/c1-6-28(7-2)21-16-17-23(24(19-21)29-8-3)27(5)26-18-12-11-14-20-13-9-10-15-22(20)25-4/h9-11,13-19,25H,6-8,12H2,1-5H3/b14-11-,26-18+
InChIKeyAHESFGTZHNGFTM-OLHPPVPKSA-N
XLogP5.50
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N,N-diethyl-4-[(E)-2-(3-ethyl-1,3-dimethylindol-1-ium-2-yl)ethenyl]aniline
CID 58992086
N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline
CID 143578012
4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine
CID 143569061
5-(diethylamino)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]hex-1-enyl]phenol
CID 143271073
ethyl (2Z)-2-[[4-(diethylamino)-2-ethoxyphenyl]-methylhydrazinylidene]-2-(1,3-dimethylimidazol-1-ium-2-yl)acetate
CID 89320425
methyl 4-(diethylamino)-3-ethoxybenzoate
CID 168966387
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
CID 173220801
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
CID 135213041
1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
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N'-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 4026615
2-ethoxy-5-fluoro-N-methylaniline
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine (CID 143568923) is 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine is CCOc1cc(N(CC)CC)ccc1N(C)/N=C/C/C=C\c1ccccc1NC.
What is the InChIKey of 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine?
The InChIKey is AHESFGTZHNGFTM-OLHPPVPKSA-N. The full InChI is InChI=1S/C24H34N4O/c1-6-28(7-2)21-16-17-23(24(19-21)29-8-3)27(5)26-18-12-11-14-20-13-9-10-15-22(20)25-4/h9-11,13-19,25H,6-8,12H2,1-5H3/b14-11-,26-18+.
What are the key properties of 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine?
2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine has a molecular weight of 394.56 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N,4-N-diethyl-1-N-methyl-1-N-[(E)-[(Z)-4-[2-(methylamino)phenyl]but-3-enylidene]amino]benzene-1,4-diamine is sourced from PubChem (CID 143568923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).