4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline

C25H26N2O2 — CID 3537929

IUPAC4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline
SMILESCCOc1ccc(/N=C/C(=CNc2ccc(OCC)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-28-24-14-10-22(11-15-24)26-18-21(20-8-6-5-7-9-20)19-27-23-12-16-25(17-13-23)29-4-2/h5-19,26H,3-4H2,1-2H3/b21-18?,27-19+
InChIKeyHDVGMQXYNJZWAK-KYNNVROTSA-N
MW386.50 g/mol
LogP6.34
Rot. Bonds9

About 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline

4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline (PubChem CID 3537929) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline
PubChem CID3537929
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline
SMILESCCOc1ccc(/N=C/C(=CNc2ccc(OCC)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-28-24-14-10-22(11-15-24)26-18-21(20-8-6-5-7-9-20)19-27-23-12-16-25(17-13-23)29-4-2/h5-19,26H,3-4H2,1-2H3/b21-18?,27-19+
InChIKeyHDVGMQXYNJZWAK-KYNNVROTSA-N
XLogP6.34
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide
CID 525798
1-(4-ethoxyphenyl)-N-phenylmethanimine
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1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone
CID 13115431
1-(4-ethoxyphenyl)-3-phenyliminourea
CID 10730679
methyl N-benzoyl-N'-(4-ethoxyphenyl)carbamimidothioate
CID 135408938
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
benzamide;1,4-diethoxybenzene
CID 162120306
N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
CID 23408886
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
CID 835020
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline?
The IUPAC name of 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline (CID 3537929) is 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline?
The canonical SMILES for 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline is CCOc1ccc(/N=C/C(=CNc2ccc(OCC)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline?
The InChIKey is HDVGMQXYNJZWAK-KYNNVROTSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-28-24-14-10-22(11-15-24)26-18-21(20-8-6-5-7-9-20)19-27-23-12-16-25(17-13-23)29-4-2/h5-19,26H,3-4H2,1-2H3/b21-18?,27-19+.
What are the key properties of 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline?
4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline has a molecular weight of 386.50 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline is sourced from PubChem (CID 3537929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).