N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide

C13H21IN4O — CID 111027931

IUPACN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCNC(C)=O)cc1.I
InChIInChI=1S/C13H20N4O.HI/c1-3-11-4-6-12(7-5-11)17-13(14)16-9-8-15-10(2)18;/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H3,14,16,17);1H
InChIKeyPEALNDREPGWDGR-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.73
Rot. Bonds5

About N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide (PubChem CID 111027931) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
PubChem CID111027931
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCNC(C)=O)cc1.I
InChIInChI=1S/C13H20N4O.HI/c1-3-11-4-6-12(7-5-11)17-13(14)16-9-8-15-10(2)18;/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H3,14,16,17);1H
InChIKeyPEALNDREPGWDGR-UHFFFAOYSA-N
XLogP1.73
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
N-[2-[[amino-(3-methylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027903
methyl 5-[[amino-(4-ethylanilino)methylidene]amino]pentanoate;hydroiodide
CID 111086128
3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 111092279
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
N-[4-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086226
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111821897

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide (CID 111027931) is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide is CCc1ccc(N/C(N)=N/CCNC(C)=O)cc1.I.
What is the InChIKey of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide?
The InChIKey is PEALNDREPGWDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.HI/c1-3-11-4-6-12(7-5-11)17-13(14)16-9-8-15-10(2)18;/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H3,14,16,17);1H.
What are the key properties of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide?
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide has a molecular weight of 376.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 111027931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).