3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea

C14H22FN3O3 — CID 83113487

IUPAC3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H22FN3O3/c1-18(2)14(20)17-8-7-16-9-12(19)10-21-13-5-3-11(15)4-6-13/h3-6,12,16,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyTUQPYUMUKQISMJ-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.43
Rot. Bonds8

About 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea

3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea (PubChem CID 83113487) has the molecular formula C14H22FN3O3 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
PubChem CID83113487
Molecular FormulaC14H22FN3O3
Molecular Weight299.35 g/mol
Exact Mass299.16
IUPAC Name3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H22FN3O3/c1-18(2)14(20)17-8-7-16-9-12(19)10-21-13-5-3-11(15)4-6-13/h3-6,12,16,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyTUQPYUMUKQISMJ-UHFFFAOYSA-N
XLogP0.43
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea 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-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide
CID 155021513
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 79377805
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83120613

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea (CID 83113487) is 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is TUQPYUMUKQISMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O3/c1-18(2)14(20)17-8-7-16-9-12(19)10-21-13-5-3-11(15)4-6-13/h3-6,12,16,19H,7-10H2,1-2H3,(H,17,20).
What are the key properties of 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 299.35 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83113487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).