(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine

C18H20N2O2 — CID 87328023

IUPAC(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
SMILESCO/N=C(/CC/C(=N/OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-21-19-17(15-9-5-3-6-10-15)13-14-18(20-22-2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/b19-17-,20-18-
InChIKeyMMDUZOQDSVQOPR-CLFAGFIQSA-N
MW296.37 g/mol
LogP3.87
Rot. Bonds7

About (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine

(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine (PubChem CID 87328023) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine.

Molecular Properties

Compound Name(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
PubChem CID87328023
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
SMILESCO/N=C(/CC/C(=N/OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-21-19-17(15-9-5-3-6-10-15)13-14-18(20-22-2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/b19-17-,20-18-
InChIKeyMMDUZOQDSVQOPR-CLFAGFIQSA-N
XLogP3.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-phenylhexan-1-imine
CID 141496906
(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid
CID 44622472
1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
CID 154048211
N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine
CID 72815918
(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
CID 141330759
N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine
CID 173292936
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
N'-methoxybenzenecarboximidamide
CID 10678407
methyl 4-(4-bromophenyl)-4-methoxyiminobutanoate
CID 175234719
1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
CID 88532056
(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine?
The IUPAC name of (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine (CID 87328023) is (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine.
What is the SMILES notation for (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine?
The canonical SMILES for (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine is CO/N=C(/CC/C(=N/OC)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine?
The InChIKey is MMDUZOQDSVQOPR-CLFAGFIQSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-21-19-17(15-9-5-3-6-10-15)13-14-18(20-22-2)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/b19-17-,20-18-.
What are the key properties of (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine?
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine has a molecular weight of 296.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine is sourced from PubChem (CID 87328023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).