2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide

C17H29IN4O3 — CID 111236908

IUPAC2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NC(C)COC.I
InChIInChI=1S/C17H28N4O3.HI/c1-5-18-17(21-13(2)12-23-3)20-11-16(22)19-10-14-6-8-15(24-4)9-7-14;/h6-9,13H,5,10-12H2,1-4H3,(H,19,22)(H2,18,20,21);1H
InChIKeyUOZPFLZVAFOWQC-UHFFFAOYSA-N
MW464.35 g/mol
LogP1.52
Rot. Bonds9

About 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide

2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide (PubChem CID 111236908) has the molecular formula C17H29IN4O3 and a molecular weight of 464.35 g/mol. Its IUPAC name is 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
PubChem CID111236908
Molecular FormulaC17H29IN4O3
Molecular Weight464.35 g/mol
Exact Mass464.13
IUPAC Name2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NC(C)COC.I
InChIInChI=1S/C17H28N4O3.HI/c1-5-18-17(21-13(2)12-23-3)20-11-16(22)19-10-14-6-8-15(24-4)9-7-14;/h6-9,13H,5,10-12H2,1-4H3,(H,19,22)(H2,18,20,21);1H
InChIKeyUOZPFLZVAFOWQC-UHFFFAOYSA-N
XLogP1.52
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[ethylamino-(1-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 110948233
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111402331
2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111894492
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111237098
2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111240220
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111136344
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111197017
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111660115
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111136345
2-[[ethylamino-(3-phenoxypropylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111418673
1-ethyl-2-[3-(4-methoxyphenyl)butyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111773924
2-[[ethylamino-[(2-methyl-2-methylsulfanylpropyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111609466

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide (CID 111236908) is 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide is CCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NC(C)COC.I.
What is the InChIKey of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
The InChIKey is UOZPFLZVAFOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.HI/c1-5-18-17(21-13(2)12-23-3)20-11-16(22)19-10-14-6-8-15(24-4)9-7-14;/h6-9,13H,5,10-12H2,1-4H3,(H,19,22)(H2,18,20,21);1H.
What are the key properties of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide has a molecular weight of 464.35 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide is sourced from PubChem (CID 111236908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).