3-(2,6-dimethylphenoxy)propylurea

C12H18N2O2 — CID 119091227

IUPAC3-(2,6-dimethylphenoxy)propylurea
SMILESCc1cccc(C)c1OCCCNC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9-5-3-6-10(2)11(9)16-8-4-7-14-12(13)15/h3,5-6H,4,7-8H2,1-2H3,(H3,13,14,15)
InChIKeyBTSXLSFGQSDTSR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds5

About 3-(2,6-dimethylphenoxy)propylurea

3-(2,6-dimethylphenoxy)propylurea (PubChem CID 119091227) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)propylurea.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)propylurea
PubChem CID119091227
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2,6-dimethylphenoxy)propylurea
SMILESCc1cccc(C)c1OCCCNC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9-5-3-6-10(2)11(9)16-8-4-7-14-12(13)15/h3,5-6H,4,7-8H2,1-2H3,(H3,13,14,15)
InChIKeyBTSXLSFGQSDTSR-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
2-(2,6-dimethylphenoxy)ethylhydrazine
CID 82125287
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
CID 108881756
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718
1-[3-(2,6-dimethylphenoxy)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111079714
3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108881752
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)propylurea?
The IUPAC name of 3-(2,6-dimethylphenoxy)propylurea (CID 119091227) is 3-(2,6-dimethylphenoxy)propylurea.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)propylurea?
The canonical SMILES for 3-(2,6-dimethylphenoxy)propylurea is Cc1cccc(C)c1OCCCNC(N)=O.
What is the InChIKey of 3-(2,6-dimethylphenoxy)propylurea?
The InChIKey is BTSXLSFGQSDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-3-6-10(2)11(9)16-8-4-7-14-12(13)15/h3,5-6H,4,7-8H2,1-2H3,(H3,13,14,15).
What are the key properties of 3-(2,6-dimethylphenoxy)propylurea?
3-(2,6-dimethylphenoxy)propylurea has a molecular weight of 222.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)propylurea is sourced from PubChem (CID 119091227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).