(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine

C25H25NO — CID 59782148

IUPAC(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine
SMILESC/N=C(\C=C(\C)OC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c1-20(27-3)19-24(26-2)25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19H,1-3H3/b20-19-,26-24+
InChIKeyCSEHYVZYOFCICR-GYPXDMTISA-N
MW355.48 g/mol
LogP5.64
Rot. Bonds6

About (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine

(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine (PubChem CID 59782148) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine
PubChem CID59782148
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine
SMILESC/N=C(\C=C(\C)OC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c1-20(27-3)19-24(26-2)25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19H,1-3H3/b20-19-,26-24+
InChIKeyCSEHYVZYOFCICR-GYPXDMTISA-N
XLogP5.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one
CID 59782170
methyl 2-(2-methylphenyl)-2,2-diphenylacetate
CID 620898
N-methoxy-2,2,2-triphenylacetamide
CID 175153772
(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene
CID 67563916
methyl N-methylbenzenecarboximidate
CID 519475
1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
CID 59226926
1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane
CID 135050435
3,3-dimethoxy-2-phenylpropane-1,2-diol
CID 91279250
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine?
The IUPAC name of (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine (CID 59782148) is (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine is C/N=C(\C=C(\C)OC)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine?
The InChIKey is CSEHYVZYOFCICR-GYPXDMTISA-N. The full InChI is InChI=1S/C25H25NO/c1-20(27-3)19-24(26-2)25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19H,1-3H3/b20-19-,26-24+.
What are the key properties of (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine?
(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine has a molecular weight of 355.48 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine is sourced from PubChem (CID 59782148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).