3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide

C26H30N4O — CID 109389748

IUPAC3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N4O/c1-2-28-26(29-18-21-12-9-15-23(17-21)25(27)31)30-19-24(22-13-7-4-8-14-22)16-20-10-5-3-6-11-20/h3-15,17,24H,2,16,18-19H2,1H3,(H2,27,31)(H2,28,29,30)
InChIKeyLYXPSHNSSQZMAQ-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.87
Rot. Bonds9

About 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide

3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide (PubChem CID 109389748) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
PubChem CID109389748
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N4O/c1-2-28-26(29-18-21-12-9-15-23(17-21)25(27)31)30-19-24(22-13-7-4-8-14-22)16-20-10-5-3-6-11-20/h3-15,17,24H,2,16,18-19H2,1H3,(H2,27,31)(H2,28,29,30)
InChIKeyLYXPSHNSSQZMAQ-UHFFFAOYSA-N
XLogP3.87
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.87
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

3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]benzamide
CID 109418216
4-[[[(2,2-diphenylethylamino)-(ethylamino)methylidene]amino]methyl]benzamide
CID 111356892
3-[[[[(2-chlorophenyl)methylamino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111173988
3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111360128
3-[[[ethylamino-(2-phenylpropylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111343259
3-[[[[(2-chlorophenyl)methylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111173987
N-[3-[[[ethylamino-(2-phenylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111342614
1-(2,3-diphenylpropyl)-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 109389720
3-[[[[2-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111883189
1-(2,2-diphenylethyl)-3-ethyl-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111356902
2-[[3-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
CID 109408000
3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide
CID 111192760

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide (CID 109389748) is 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1cccc(C(N)=O)c1)NCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
The InChIKey is LYXPSHNSSQZMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-2-28-26(29-18-21-12-9-15-23(17-21)25(27)31)30-19-24(22-13-7-4-8-14-22)16-20-10-5-3-6-11-20/h3-15,17,24H,2,16,18-19H2,1H3,(H2,27,31)(H2,28,29,30).
What are the key properties of 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide?
3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 109389748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).