N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine

C20H20N2O2 — CID 162990023

IUPACN-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine
SMILESC=NC(=Cc1ccc(OC)cc1)C(=Cc1ccc(OC)cc1)N=C
InChIInChI=1S/C20H20N2O2/c1-21-19(13-15-5-9-17(23-3)10-6-15)20(22-2)14-16-7-11-18(24-4)12-8-16/h5-14H,1-2H2,3-4H3
InChIKeyDSUFFPKJNFNJNM-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.49
Rot. Bonds7

About N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine

N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine (PubChem CID 162990023) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine
PubChem CID162990023
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine
SMILESC=NC(=Cc1ccc(OC)cc1)C(=Cc1ccc(OC)cc1)N=C
InChIInChI=1S/C20H20N2O2/c1-21-19(13-15-5-9-17(23-3)10-6-15)20(22-2)14-16-7-11-18(24-4)12-8-16/h5-14H,1-2H2,3-4H3
InChIKeyDSUFFPKJNFNJNM-UHFFFAOYSA-N
XLogP4.49
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[(Z)-2,4,4,4-tetrafluorobut-1-enyl]benzene
CID 177473841
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829

Frequently Asked Questions

What is the IUPAC name of N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine?
The IUPAC name of N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine (CID 162990023) is N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine.
What is the SMILES notation for N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine?
The canonical SMILES for N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine is C=NC(=Cc1ccc(OC)cc1)C(=Cc1ccc(OC)cc1)N=C.
What is the InChIKey of N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine?
The InChIKey is DSUFFPKJNFNJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-21-19(13-15-5-9-17(23-3)10-6-15)20(22-2)14-16-7-11-18(24-4)12-8-16/h5-14H,1-2H2,3-4H3.
What are the key properties of N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine?
N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine has a molecular weight of 320.39 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine is sourced from PubChem (CID 162990023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).