2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

C25H37N5O2 — CID 110033439

IUPAC2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H37N5O2/c1-29(2)24(31)19-28-25(27-16-18-32-3)26-15-10-17-30(20-22-11-6-4-7-12-22)21-23-13-8-5-9-14-23/h4-9,11-14H,10,15-21H2,1-3H3,(H2,26,27,28)
InChIKeyYZCNXVCZSXDNFN-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.35
Rot. Bonds13

About 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110033439) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110033439
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H37N5O2/c1-29(2)24(31)19-28-25(27-16-18-32-3)26-15-10-17-30(20-22-11-6-4-7-12-22)21-23-13-8-5-9-14-23/h4-9,11-14H,10,15-21H2,1-3H3,(H2,26,27,28)
InChIKeyYZCNXVCZSXDNFN-UHFFFAOYSA-N
XLogP2.35
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-methoxyethylamino)-(2-phenoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111537621
N-benzyl-N-ethyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110939561
2-[[(2-methoxyethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491566
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005
2-[[(2-ethoxyethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751604
2-[[(3-fluoropropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033419
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110942282
2-[[(2-methoxyethylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110941875
2-[[(4-ethoxybutylamino)-[3-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111366089
2-[[ethylamino-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035703
2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111539178
2-[[(3-ethoxypropylamino)-[3-(N-ethylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365437

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110033439) is 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is COCCN/C(=N\CC(=O)N(C)C)NCCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is YZCNXVCZSXDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-29(2)24(31)19-28-25(27-16-18-32-3)26-15-10-17-30(20-22-11-6-4-7-12-22)21-23-13-8-5-9-14-23/h4-9,11-14H,10,15-21H2,1-3H3,(H2,26,27,28).
What are the key properties of 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 439.60 g/mol, XLogP of 2.35, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(dibenzylamino)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110033439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).