2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

C15H22Cl2N4O2 — CID 111364309

IUPAC2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N4O2/c1-4-18-15(20-10-13(22)21(2)3)19-8-9-23-12-7-5-6-11(16)14(12)17/h5-7H,4,8-10H2,1-3H3,(H2,18,19,20)
InChIKeyFLGXKKJJIMSNIO-UHFFFAOYSA-N
MW361.27 g/mol
LogP2.02
Rot. Bonds7

About 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111364309) has the molecular formula C15H22Cl2N4O2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111364309
Molecular FormulaC15H22Cl2N4O2
Molecular Weight361.27 g/mol
Exact Mass360.11
IUPAC Name2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N4O2/c1-4-18-15(20-10-13(22)21(2)3)19-8-9-23-12-7-5-6-11(16)14(12)17/h5-7H,4,8-10H2,1-3H3,(H2,18,19,20)
InChIKeyFLGXKKJJIMSNIO-UHFFFAOYSA-N
XLogP2.02
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[ethylamino-[3-(2-methylphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111785987
2-[[[2-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365671
N-[2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927912
1-[2-(2,3-dichlorophenoxy)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110973285
2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365563
2-[[[2-(4-tert-butylphenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365092
2-[[[2-(2-chlorophenoxy)butylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111968981
1-[2-(2,3-dichlorophenoxy)ethyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146674
1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
CID 60580427
2-[[(2-methoxyethylamino)-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110043283
2-[[ethylamino-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035703
1-[2-(2,3-dichlorophenoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971520

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111364309) is 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is FLGXKKJJIMSNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N4O2/c1-4-18-15(20-10-13(22)21(2)3)19-8-9-23-12-7-5-6-11(16)14(12)17/h5-7H,4,8-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 361.27 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2,3-dichlorophenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111364309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).