2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea

C12H18ClN3O3 — CID 83121783

IUPAC2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
SMILESNC(=O)NCCNCC(O)COc1ccccc1Cl
InChIInChI=1S/C12H18ClN3O3/c13-10-3-1-2-4-11(10)19-8-9(17)7-15-5-6-16-12(14)18/h1-4,9,15,17H,5-8H2,(H3,14,16,18)
InChIKeyAHDJVFXFOQZBJK-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.34
Rot. Bonds8

About 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea

2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea (PubChem CID 83121783) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea.

Molecular Properties

Compound Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
PubChem CID83121783
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
SMILESNC(=O)NCCNCC(O)COc1ccccc1Cl
InChIInChI=1S/C12H18ClN3O3/c13-10-3-1-2-4-11(10)19-8-9(17)7-15-5-6-16-12(14)18/h1-4,9,15,17H,5-8H2,(H3,14,16,18)
InChIKeyAHDJVFXFOQZBJK-UHFFFAOYSA-N
XLogP0.34
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83120734
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 113465593
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 2915954
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
CID 13030863
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide
CID 2561444
N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide
CID 88659484
4-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 60908871

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea?
The IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea (CID 83121783) is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea.
What is the SMILES notation for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea?
The canonical SMILES for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea is NC(=O)NCCNCC(O)COc1ccccc1Cl.
What is the InChIKey of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea?
The InChIKey is AHDJVFXFOQZBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c13-10-3-1-2-4-11(10)19-8-9(17)7-15-5-6-16-12(14)18/h1-4,9,15,17H,5-8H2,(H3,14,16,18).
What are the key properties of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea?
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea has a molecular weight of 287.75 g/mol, XLogP of 0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea is sourced from PubChem (CID 83121783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).