4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide

C24H32N4O2 — CID 111873779

IUPAC4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C24H32N4O2/c1-5-25-23(26-16-18-10-12-19(13-11-18)22(29)28(2)3)27-17-24(14-15-24)20-8-6-7-9-21(20)30-4/h6-13H,5,14-17H2,1-4H3,(H2,25,26,27)
InChIKeyHNGDLLGXEYUBMH-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.18
Rot. Bonds8

About 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide

4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 111873779) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
PubChem CID111873779
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C24H32N4O2/c1-5-25-23(26-16-18-10-12-19(13-11-18)22(29)28(2)3)27-17-24(14-15-24)20-8-6-7-9-21(20)30-4/h6-13H,5,14-17H2,1-4H3,(H2,25,26,27)
InChIKeyHNGDLLGXEYUBMH-UHFFFAOYSA-N
XLogP3.18
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.18
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 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-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

1-ethyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111184147
4-[[[N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111872837
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]guanidine
CID 111844901
1-ethyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111251022
4-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111340809
4-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111340808
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111203066
4-[[[ethylamino-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874210
4-[[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875387
4-[[[ethylamino-[[2-(methoxymethyl)phenyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874508
4-[[[ethylamino-[[2-(methoxymethyl)phenyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111874509
4-[[[ethylamino-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111873441

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide (CID 111873779) is 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide is CCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC1(c2ccccc2OC)CC1.
What is the InChIKey of 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is HNGDLLGXEYUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-5-25-23(26-16-18-10-12-19(13-11-18)22(29)28(2)3)27-17-24(14-15-24)20-8-6-7-9-21(20)30-4/h6-13H,5,14-17H2,1-4H3,(H2,25,26,27).
What are the key properties of 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide?
4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 408.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111873779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).