3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide

C25H37N5O — CID 111670008

IUPAC3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide
SMILESCCN/C(=N\CCc1cccc(C(=O)N(C)C)c1)NCCN(CC)c1ccccc1C
InChIInChI=1S/C25H37N5O/c1-6-26-25(28-17-18-30(7-2)23-14-9-8-11-20(23)3)27-16-15-21-12-10-13-22(19-21)24(31)29(4)5/h8-14,19H,6-7,15-18H2,1-5H3,(H2,26,27,28)
InChIKeyWEMSBRXLOYXIPQ-UHFFFAOYSA-N
MW423.61 g/mol
LogP3.32
Rot. Bonds10

About 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide

3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide (PubChem CID 111670008) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide
PubChem CID111670008
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide
SMILESCCN/C(=N\CCc1cccc(C(=O)N(C)C)c1)NCCN(CC)c1ccccc1C
InChIInChI=1S/C25H37N5O/c1-6-26-25(28-17-18-30(7-2)23-14-9-8-11-20(23)3)27-16-15-21-12-10-13-22(19-21)24(31)29(4)5/h8-14,19H,6-7,15-18H2,1-5H3,(H2,26,27,28)
InChIKeyWEMSBRXLOYXIPQ-UHFFFAOYSA-N
XLogP3.32
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111670007
3-[2-[[N-ethyl-N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669888
3-[2-[[(2-benzamidoethylamino)-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668061
3-[2-[[[2-(3,5-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide
CID 111670420
3-[2-[[[2-(3,5-difluorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669019
3-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111667855
3-[2-[[N'-[2-(2-chlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111670528
3-[2-[[N-ethyl-N'-[2-(2-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669460
3-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111667870
3-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide
CID 111669096
3-[2-[[N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669030
3-[2-[[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111667861

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide (CID 111670008) is 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide is CCN/C(=N\CCc1cccc(C(=O)N(C)C)c1)NCCN(CC)c1ccccc1C.
What is the InChIKey of 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide?
The InChIKey is WEMSBRXLOYXIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-6-26-25(28-17-18-30(7-2)23-14-9-8-11-20(23)3)27-16-15-21-12-10-13-22(19-21)24(31)29(4)5/h8-14,19H,6-7,15-18H2,1-5H3,(H2,26,27,28).
What are the key properties of 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide?
3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide has a molecular weight of 423.61 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111670008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).