2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C16H26ClIN4O2 — CID 111501270

IUPAC2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(OC)c1cccc(Cl)c1.I
InChIInChI=1S/C16H25ClN4O2.HI/c1-5-18-16(20-11-15(22)21(2)3)19-10-14(23-4)12-7-6-8-13(17)9-12;/h6-9,14H,5,10-11H2,1-4H3,(H2,18,19,20);1H
InChIKeySHTQLJRHFQWKBE-UHFFFAOYSA-N
MW468.77 g/mol
LogP2.29
Rot. Bonds7

About 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111501270) has the molecular formula C16H26ClIN4O2 and a molecular weight of 468.77 g/mol. Its IUPAC name is 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111501270
Molecular FormulaC16H26ClIN4O2
Molecular Weight468.77 g/mol
Exact Mass468.08
IUPAC Name2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(OC)c1cccc(Cl)c1.I
InChIInChI=1S/C16H25ClN4O2.HI/c1-5-18-16(20-11-15(22)21(2)3)19-10-14(23-4)12-7-6-8-13(17)9-12;/h6-9,14H,5,10-11H2,1-4H3,(H2,18,19,20);1H
InChIKeySHTQLJRHFQWKBE-UHFFFAOYSA-N
XLogP2.29
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.77
LogP ≤ 52.29
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'}, {'alert_name': 'iodine', '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-(3-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111659677
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propylguanidine
CID 111500481
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111499932
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111691090
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111011119
2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119139963
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111499983
2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365881
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
2-[[[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364759
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111501270) is 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCC(OC)c1cccc(Cl)c1.I.
What is the InChIKey of 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is SHTQLJRHFQWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2.HI/c1-5-18-16(20-11-15(22)21(2)3)19-10-14(23-4)12-7-6-8-13(17)9-12;/h6-9,14H,5,10-11H2,1-4H3,(H2,18,19,20);1H.
What are the key properties of 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 468.77 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111501270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).