1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea

C14H22N2O5 — CID 112975608

IUPAC1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O5/c1-18-6-4-15-14(17)16-5-7-21-13-9-11(19-2)8-12(10-13)20-3/h8-10H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyPLZXXAVNOKEYLC-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.03
Rot. Bonds9

About 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea

1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 112975608) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
PubChem CID112975608
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O5/c1-18-6-4-15-14(17)16-5-7-21-13-9-11(19-2)8-12(10-13)20-3/h8-10H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyPLZXXAVNOKEYLC-UHFFFAOYSA-N
XLogP1.03
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975693
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 112975611
3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
CID 120502387
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006870
2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
CID 119344811

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea (CID 112975608) is 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is PLZXXAVNOKEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-18-6-4-15-14(17)16-5-7-21-13-9-11(19-2)8-12(10-13)20-3/h8-10H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 298.34 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 112975608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).