2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide

C14H22BrIN4O — CID 110926492

IUPAC2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide
SMILESCCNC(=NCC(=O)Nc1cc(Br)ccc1C)NCC.I
InChIInChI=1S/C14H21BrN4O.HI/c1-4-16-14(17-5-2)18-9-13(20)19-12-8-11(15)7-6-10(12)3;/h6-8H,4-5,9H2,1-3H3,(H,19,20)(H2,16,17,18);1H
InChIKeyVEHPLTOHFDJPJT-UHFFFAOYSA-N
MW469.17 g/mol
LogP2.89
Rot. Bonds5

About 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide

2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide (PubChem CID 110926492) has the molecular formula C14H22BrIN4O and a molecular weight of 469.17 g/mol. Its IUPAC name is 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide
PubChem CID110926492
Molecular FormulaC14H22BrIN4O
Molecular Weight469.17 g/mol
Exact Mass468.00
IUPAC Name2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide
SMILESCCNC(=NCC(=O)Nc1cc(Br)ccc1C)NCC.I
InChIInChI=1S/C14H21BrN4O.HI/c1-4-16-14(17-5-2)18-9-13(20)19-12-8-11(15)7-6-10(12)3;/h6-8H,4-5,9H2,1-3H3,(H,19,20)(H2,16,17,18);1H
InChIKeyVEHPLTOHFDJPJT-UHFFFAOYSA-N
XLogP2.89
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.17
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-(5-bromo-2-methylphenyl)-2-[[ethylamino-(prop-2-ynylamino)methylidene]amino]acetamide;hydroiodide
CID 111848758
N-(5-bromo-2-methylphenyl)-2-[[(tert-butylamino)-(ethylamino)methylidene]amino]acetamide
CID 110965742
N-(5-bromo-2-methylphenyl)-2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 110944549
N-(5-bromo-2-methylphenyl)-2-[[ethylamino-[(2-methyl-2-methylsulfanylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111611749
N-[2-[[N'-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928144
N-(5-bromo-2-methylphenyl)-2-[[[(2,2-diethyl-4-hydroxybutyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111716675
N-(5-bromo-2-methylphenyl)-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide
CID 111713186
N-(5-bromo-2-methylphenyl)-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111178327
N-(5-bromo-2-methylphenyl)-2-[[N-ethyl-N'-(thiophen-3-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111940884
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide
CID 111093213
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-(5-bromo-2-methylphenyl)-3-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]propanamide
CID 109432003

Frequently Asked Questions

What is the IUPAC name of 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide (CID 110926492) is 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide is CCNC(=NCC(=O)Nc1cc(Br)ccc1C)NCC.I.
What is the InChIKey of 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide?
The InChIKey is VEHPLTOHFDJPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O.HI/c1-4-16-14(17-5-2)18-9-13(20)19-12-8-11(15)7-6-10(12)3;/h6-8H,4-5,9H2,1-3H3,(H,19,20)(H2,16,17,18);1H.
What are the key properties of 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide?
2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide has a molecular weight of 469.17 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(ethylamino)methylideneamino]-N-(5-bromo-2-methylphenyl)acetamide;hydroiodide is sourced from PubChem (CID 110926492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).