2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

C17H26Cl2N4O — CID 111365359

IUPAC2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N4O/c1-6-20-16(21-10-15(24)23(4)5)22-11-17(2,3)12-7-8-13(18)14(19)9-12/h7-9H,6,10-11H2,1-5H3,(H2,20,21,22)
InChIKeyNGJLVVSUNVVKQN-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.91
Rot. Bonds6

About 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111365359) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111365359
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N4O/c1-6-20-16(21-10-15(24)23(4)5)22-11-17(2,3)12-7-8-13(18)14(19)9-12/h7-9H,6,10-11H2,1-5H3,(H2,20,21,22)
InChIKeyNGJLVVSUNVVKQN-UHFFFAOYSA-N
XLogP2.91
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[[[2-(3-chlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365320
2-[[ethylamino-[[2-(4-fluorophenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364028
2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365322
2-[[ethylamino-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111839083
1-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432436
2-[[[[2-(4-ethylphenyl)-2-methylpropyl]amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043295
2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111607167
4-[[[N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111873972
2-[[[2-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365671
2-[[[2-(3,5-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365869
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929853
2-[[[2-(4-tert-butylphenoxy)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365092

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111365359) is 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCC(C)(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is NGJLVVSUNVVKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N4O/c1-6-20-16(21-10-15(24)23(4)5)22-11-17(2,3)12-7-8-13(18)14(19)9-12/h7-9H,6,10-11H2,1-5H3,(H2,20,21,22).
What are the key properties of 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 373.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111365359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).