1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide

C32H34N4 — CID 6851293

IUPAC1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide
SMILESCc1ccc(NC(=N/[C@@H](C)c2ccccc2)/C(=N\[C@@H](C)c2ccccc2)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C32H34N4/c1-23-15-19-29(20-16-23)35-31(33-25(3)27-11-7-5-8-12-27)32(36-30-21-17-24(2)18-22-30)34-26(4)28-13-9-6-10-14-28/h5-22,25-26H,1-4H3,(H,33,35)(H,34,36)/t25-,26-/m0/s1
InChIKeyVSQPXAOSEZHHEW-UIOOFZCWSA-N
MW474.65 g/mol
LogP8.15
Rot. Bonds6

About 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide

1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide (PubChem CID 6851293) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide.

Molecular Properties

Compound Name1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide
PubChem CID6851293
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide
SMILESCc1ccc(NC(=N/[C@@H](C)c2ccccc2)/C(=N\[C@@H](C)c2ccccc2)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C32H34N4/c1-23-15-19-29(20-16-23)35-31(33-25(3)27-11-7-5-8-12-27)32(36-30-21-17-24(2)18-22-30)34-26(4)28-13-9-6-10-14-28/h5-22,25-26H,1-4H3,(H,33,35)(H,34,36)/t25-,26-/m0/s1
InChIKeyVSQPXAOSEZHHEW-UIOOFZCWSA-N
XLogP8.15
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide?
The IUPAC name of 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide (CID 6851293) is 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide.
What is the SMILES notation for 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide?
The canonical SMILES for 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide is Cc1ccc(NC(=N/[C@@H](C)c2ccccc2)/C(=N\[C@@H](C)c2ccccc2)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide?
The InChIKey is VSQPXAOSEZHHEW-UIOOFZCWSA-N. The full InChI is InChI=1S/C32H34N4/c1-23-15-19-29(20-16-23)35-31(33-25(3)27-11-7-5-8-12-27)32(36-30-21-17-24(2)18-22-30)34-26(4)28-13-9-6-10-14-28/h5-22,25-26H,1-4H3,(H,33,35)(H,34,36)/t25-,26-/m0/s1.
What are the key properties of 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide?
1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide has a molecular weight of 474.65 g/mol, XLogP of 8.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-methylphenyl)-1-N',2-N'-bis[(1S)-1-phenylethyl]ethanediimidamide is sourced from PubChem (CID 6851293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).