N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide

C16H21Cl3N4O2 — CID 109464460

IUPACN-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl3N4O2/c1-2-20-16(22-9-14(24)23-11-3-4-11)21-5-6-25-15-12(18)7-10(17)8-13(15)19/h7-8,11H,2-6,9H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyHWZAOEKJPXSWHT-UHFFFAOYSA-N
MW407.73 g/mol
LogP2.86
Rot. Bonds8

About N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide

N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide (PubChem CID 109464460) has the molecular formula C16H21Cl3N4O2 and a molecular weight of 407.73 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide
PubChem CID109464460
Molecular FormulaC16H21Cl3N4O2
Molecular Weight407.73 g/mol
Exact Mass406.07
IUPAC NameN-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl3N4O2/c1-2-20-16(22-9-14(24)23-11-3-4-11)21-5-6-25-15-12(18)7-10(17)8-13(15)19/h7-8,11H,2-6,9H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyHWZAOEKJPXSWHT-UHFFFAOYSA-N
XLogP2.86
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.73
LogP ≤ 52.86
H-Bond Donors ≤ 53
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

N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111894403
N-[2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]ethyl]acetamide
CID 109464268
3-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109464207
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
1-ethyl-2-(2-sulfamoylethyl)-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine
CID 109464372
N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111649430
N-cyclohexyl-2-[[ethylamino-(3-phenoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 111418352
2-[[(2-methoxyethylamino)-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110043283
N-cyclopropyl-2-[[[2-(3,4-diethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111246377
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111970749
1-ethyl-2-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine;hydroiodide
CID 109464255

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide (CID 109464460) is N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide?
The InChIKey is HWZAOEKJPXSWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl3N4O2/c1-2-20-16(22-9-14(24)23-11-3-4-11)21-5-6-25-15-12(18)7-10(17)8-13(15)19/h7-8,11H,2-6,9H2,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide?
N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide has a molecular weight of 407.73 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]acetamide is sourced from PubChem (CID 109464460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).