4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide

C25H28N4O — CID 111356892

IUPAC4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O/c1-2-27-25(28-17-19-13-15-22(16-14-19)24(26)30)29-18-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,2,17-18H2,1H3,(H2,26,30)(H2,27,28,29)
InChIKeySQNISGNHQFHLNX-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.67
Rot. Bonds8

About 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide

4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide (PubChem CID 111356892) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide
PubChem CID111356892
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O/c1-2-27-25(28-17-19-13-15-22(16-14-19)24(26)30)29-18-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,2,17-18H2,1H3,(H2,26,30)(H2,27,28,29)
InChIKeySQNISGNHQFHLNX-UHFFFAOYSA-N
XLogP3.67
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.67
H-Bond Donors ≤ 53
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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Related Compounds

4-[[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]methyl]benzamide
CID 111714724
3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
CID 109389748
4-[[[ethylamino-[(2-fluorophenyl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111264972
4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]benzamide
CID 110969558
4-[[[[2-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111882731
4-[[[(3,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111233753
4-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111852467
4-[[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111011280
4-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]benzamide
CID 111579679
1-(2,2-diphenylethyl)-3-ethyl-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111356902
4-[[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111937154
4-[[[ethylamino-(thiophen-2-ylmethylamino)methylidene]amino]methyl]benzamide
CID 111257893

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide (CID 111356892) is 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1ccc(C(N)=O)cc1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
The InChIKey is SQNISGNHQFHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-2-27-25(28-17-19-13-15-22(16-14-19)24(26)30)29-18-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23H,2,17-18H2,1H3,(H2,26,30)(H2,27,28,29).
What are the key properties of 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide has a molecular weight of 400.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111356892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).