1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea

C14H22N2O3 — CID 47216835

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C14H22N2O3/c1-11-5-4-6-12(2)13(11)19-10-8-16-14(17)15-7-9-18-3/h4-6H,7-10H2,1-3H3,(H2,15,16,17)
InChIKeyVBRUBFQKJOYHDX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.63
Rot. Bonds7

About 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea

1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 47216835) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
PubChem CID47216835
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C14H22N2O3/c1-11-5-4-6-12(2)13(11)19-10-8-16-14(17)15-7-9-18-3/h4-6H,7-10H2,1-3H3,(H2,15,16,17)
InChIKeyVBRUBFQKJOYHDX-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 112973291
ethyl N-[2-[3-(2,6-dimethylphenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108881896
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454636
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504976
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea (CID 47216835) is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCOc1c(C)cccc1C.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is VBRUBFQKJOYHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-5-4-6-12(2)13(11)19-10-8-16-14(17)15-7-9-18-3/h4-6H,7-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47216835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).