2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C18H30FIN4O2 — CID 111545076

IUPAC2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)Oc1cccc(F)c1.I
InChIInChI=1S/C18H29FN4O2.HI/c1-6-13(2)22-18(21-12-17(24)23(4)5)20-11-14(3)25-16-9-7-8-15(19)10-16;/h7-10,13-14H,6,11-12H2,1-5H3,(H2,20,21,22);1H
InChIKeyAUYXVRSBTKWAPH-UHFFFAOYSA-N
MW480.37 g/mol
LogP2.63
Rot. Bonds8

About 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111545076) has the molecular formula C18H30FIN4O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111545076
Molecular FormulaC18H30FIN4O2
Molecular Weight480.37 g/mol
Exact Mass480.14
IUPAC Name2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)Oc1cccc(F)c1.I
InChIInChI=1S/C18H29FN4O2.HI/c1-6-13(2)22-18(21-12-17(24)23(4)5)20-11-14(3)25-16-9-7-8-15(19)10-16;/h7-10,13-14H,6,11-12H2,1-5H3,(H2,20,21,22);1H
InChIKeyAUYXVRSBTKWAPH-UHFFFAOYSA-N
XLogP2.63
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
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-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;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-ethyl-2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111681213
2-[[[2-(3-fluorophenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111503408
2-[[[2-(3-fluorophenoxy)butylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043632
2-[[[2-(4-fluorophenoxy)propylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111980066
2-[[(butan-2-ylamino)-(2,2-diphenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545375
2-[[ethylamino-[2-(3-fluorophenoxy)butylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109475634
2-[[(butan-2-ylamino)-(2-ethylbutylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545282
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111502904
2-[[(butan-2-ylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110035543
4-[[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111681200
2-[[(3-ethoxypropylamino)-[2-(3-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111502516
2-[[(butan-2-ylamino)-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111545459

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111545076) is 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)Oc1cccc(F)c1.I.
What is the InChIKey of 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is AUYXVRSBTKWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O2.HI/c1-6-13(2)22-18(21-12-17(24)23(4)5)20-11-14(3)25-16-9-7-8-15(19)10-16;/h7-10,13-14H,6,11-12H2,1-5H3,(H2,20,21,22);1H.
What are the key properties of 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 480.37 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111545076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).