2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

C19H32FIN4O2 — CID 111715447

IUPAC2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(F)cc1)NCC(CCO)CC(C)C.I
InChIInChI=1S/C19H31FN4O2.HI/c1-4-21-19(22-12-15(9-10-25)11-14(2)3)23-13-18(26)24-17-7-5-16(20)6-8-17;/h5-8,14-15,25H,4,9-13H2,1-3H3,(H,24,26)(H2,21,22,23);1H
InChIKeyWLZKVBNLRCITJK-UHFFFAOYSA-N
MW494.39 g/mol
LogP2.98
Rot. Bonds10

About 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 111715447) has the molecular formula C19H32FIN4O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID111715447
Molecular FormulaC19H32FIN4O2
Molecular Weight494.39 g/mol
Exact Mass494.16
IUPAC Name2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(F)cc1)NCC(CCO)CC(C)C.I
InChIInChI=1S/C19H31FN4O2.HI/c1-4-21-19(22-12-15(9-10-25)11-14(2)3)23-13-18(26)24-17-7-5-16(20)6-8-17;/h5-8,14-15,25H,4,9-13H2,1-3H3,(H,24,26)(H2,21,22,23);1H
InChIKeyWLZKVBNLRCITJK-UHFFFAOYSA-N
XLogP2.98
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 52.98
H-Bond Donors ≤ 54
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'}

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Related Compounds

1-ethyl-2-[(4-fluorophenyl)methyl]-3-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111714749
2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111935050
N'-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521482
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111678331
2-[[ethylamino-[(2-methoxy-3,3-dimethylbutyl)amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111711000
2-[[ethylamino-(2-thiophen-3-ylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111704391
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111178675
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110981151
N-[3-[[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]methyl]phenyl]acetamide
CID 111714652
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine
CID 111714656
N-[2-[[N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111714947
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (CID 111715447) is 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccc(F)cc1)NCC(CCO)CC(C)C.I.
What is the InChIKey of 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is WLZKVBNLRCITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O2.HI/c1-4-21-19(22-12-15(9-10-25)11-14(2)3)23-13-18(26)24-17-7-5-16(20)6-8-17;/h5-8,14-15,25H,4,9-13H2,1-3H3,(H,24,26)(H2,21,22,23);1H.
What are the key properties of 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 494.39 g/mol, XLogP of 2.98, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[[2-(2-hydroxyethyl)-4-methylpentyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111715447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).