2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide

C17H27IN4O2 — CID 111075242

IUPAC2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
SMILESCC(C)N/C(N)=N/CCc1ccc(OCC(=O)NC2CC2)cc1.I
InChIInChI=1S/C17H26N4O2.HI/c1-12(2)20-17(18)19-10-9-13-3-7-15(8-4-13)23-11-16(22)21-14-5-6-14;/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,21,22)(H3,18,19,20);1H
InChIKeyGUQGPDYZWRVDOI-UHFFFAOYSA-N
MW446.33 g/mol
LogP1.82
Rot. Bonds8

About 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide

2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide (PubChem CID 111075242) has the molecular formula C17H27IN4O2 and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
PubChem CID111075242
Molecular FormulaC17H27IN4O2
Molecular Weight446.33 g/mol
Exact Mass446.12
IUPAC Name2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
SMILESCC(C)N/C(N)=N/CCc1ccc(OCC(=O)NC2CC2)cc1.I
InChIInChI=1S/C17H26N4O2.HI/c1-12(2)20-17(18)19-10-9-13-3-7-15(8-4-13)23-11-16(22)21-14-5-6-14;/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,21,22)(H3,18,19,20);1H
InChIKeyGUQGPDYZWRVDOI-UHFFFAOYSA-N
XLogP1.82
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 51.82
H-Bond Donors ≤ 53
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'}

Analyze 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[[amino-(2-phenylethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075226
2-[4-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 110992692
2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075261
2-[4-[2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075259
2-[4-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075287
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
N-cyclopropyl-2-[4-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]phenoxy]acetamide
CID 111190628
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
N-cyclopropyl-2-[4-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]phenoxy]acetamide
CID 111211707
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
ethyl 1-[N'-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110995048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide?
The IUPAC name of 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide (CID 111075242) is 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide.
What is the SMILES notation for 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide?
The canonical SMILES for 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide is CC(C)N/C(N)=N/CCc1ccc(OCC(=O)NC2CC2)cc1.I.
What is the InChIKey of 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide?
The InChIKey is GUQGPDYZWRVDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.HI/c1-12(2)20-17(18)19-10-9-13-3-7-15(8-4-13)23-11-16(22)21-14-5-6-14;/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,21,22)(H3,18,19,20);1H.
What are the key properties of 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide?
2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide has a molecular weight of 446.33 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide is sourced from PubChem (CID 111075242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).