N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide

C16H27IN4O3 — CID 111235368

IUPACN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC(C)COC.I
InChIInChI=1S/C16H26N4O3.HI/c1-4-17-16(20-12(2)11-23-3)19-10-9-18-15(22)13-7-5-6-8-14(13)21;/h5-8,12,21H,4,9-11H2,1-3H3,(H,18,22)(H2,17,19,20);1H
InChIKeyFDCPEVGFBUVWAA-UHFFFAOYSA-N
MW450.32 g/mol
LogP1.33
Rot. Bonds8

About N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide

N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide (PubChem CID 111235368) has the molecular formula C16H27IN4O3 and a molecular weight of 450.32 g/mol. Its IUPAC name is N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
PubChem CID111235368
Molecular FormulaC16H27IN4O3
Molecular Weight450.32 g/mol
Exact Mass450.11
IUPAC NameN-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1O)NC(C)COC.I
InChIInChI=1S/C16H26N4O3.HI/c1-4-17-16(20-12(2)11-23-3)19-10-9-18-15(22)13-7-5-6-8-14(13)21;/h5-8,12,21H,4,9-11H2,1-3H3,(H,18,22)(H2,17,19,20);1H
InChIKeyFDCPEVGFBUVWAA-UHFFFAOYSA-N
XLogP1.33
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

Analyze N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;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

N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 110946152
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111236399
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111234908
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111237798
2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide
CID 111123905
N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111179698
2-chloro-N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]benzamide
CID 110999053
2-(3-anilinopropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236951
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-phenylpropyl)guanidine
CID 111237435
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111150952
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111125900

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide (CID 111235368) is N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide is CCN/C(=N\CCNC(=O)c1ccccc1O)NC(C)COC.I.
What is the InChIKey of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
The InChIKey is FDCPEVGFBUVWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3.HI/c1-4-17-16(20-12(2)11-23-3)19-10-9-18-15(22)13-7-5-6-8-14(13)21;/h5-8,12,21H,4,9-11H2,1-3H3,(H,18,22)(H2,17,19,20);1H.
What are the key properties of N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide?
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide has a molecular weight of 450.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide is sourced from PubChem (CID 111235368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).