2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea

C13H21N3O3 — CID 83121216

IUPAC2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
SMILESCc1ccccc1OCC(O)CNCCNC(N)=O
InChIInChI=1S/C13H21N3O3/c1-10-4-2-3-5-12(10)19-9-11(17)8-15-6-7-16-13(14)18/h2-5,11,15,17H,6-9H2,1H3,(H3,14,16,18)
InChIKeyDYVADMHVNHXNJB-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.01
Rot. Bonds8

About 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea

2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea (PubChem CID 83121216) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
PubChem CID83121216
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
SMILESCc1ccccc1OCC(O)CNCCNC(N)=O
InChIInChI=1S/C13H21N3O3/c1-10-4-2-3-5-12(10)19-9-11(17)8-15-6-7-16-13(14)18/h2-5,11,15,17H,6-9H2,1H3,(H3,14,16,18)
InChIKeyDYVADMHVNHXNJB-UHFFFAOYSA-N
XLogP-0.01
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.01
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-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83120734
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide
CID 2561444
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea?
The IUPAC name of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea (CID 83121216) is 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea is Cc1ccccc1OCC(O)CNCCNC(N)=O.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea?
The InChIKey is DYVADMHVNHXNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-4-2-3-5-12(10)19-9-11(17)8-15-6-7-16-13(14)18/h2-5,11,15,17H,6-9H2,1H3,(H3,14,16,18).
What are the key properties of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea?
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea has a molecular weight of 267.33 g/mol, XLogP of -0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea is sourced from PubChem (CID 83121216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).