(Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide

C27H30N2 — CID 142874586

IUPAC(Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide
SMILESC/C=C\C(=N/C)NC(c1ccccc1)(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C27H30N2/c1-5-12-26(28-4)29-27(23-13-8-6-9-14-23,24-15-10-7-11-16-24)25-19-17-22(18-20-25)21(2)3/h5-21H,1-4H3,(H,28,29)/b12-5-
InChIKeyKYQQBHWPYXGTOY-XGICHPGQSA-N
MW382.55 g/mol
LogP6.30
Rot. Bonds6

About (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide

(Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide (PubChem CID 142874586) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide
PubChem CID142874586
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name(Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide
SMILESC/C=C\C(=N/C)NC(c1ccccc1)(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C27H30N2/c1-5-12-26(28-4)29-27(23-13-8-6-9-14-23,24-15-10-7-11-16-24)25-19-17-22(18-20-25)21(2)3/h5-21H,1-4H3,(H,28,29)/b12-5-
InChIKeyKYQQBHWPYXGTOY-XGICHPGQSA-N
XLogP6.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide?
The IUPAC name of (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide (CID 142874586) is (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide?
The canonical SMILES for (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide is C/C=C\C(=N/C)NC(c1ccccc1)(c1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide?
The InChIKey is KYQQBHWPYXGTOY-XGICHPGQSA-N. The full InChI is InChI=1S/C27H30N2/c1-5-12-26(28-4)29-27(23-13-8-6-9-14-23,24-15-10-7-11-16-24)25-19-17-22(18-20-25)21(2)3/h5-21H,1-4H3,(H,28,29)/b12-5-.
What are the key properties of (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide?
(Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide has a molecular weight of 382.55 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[diphenyl-(4-propan-2-ylphenyl)methyl]-N'-methylbut-2-enimidamide is sourced from PubChem (CID 142874586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).