1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea

C20H26N2O3 — CID 112971672

IUPAC1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)NCCc1ccccc1OC
InChIInChI=1S/C20H26N2O3/c1-3-16-8-4-7-11-19(16)25-15-14-22-20(23)21-13-12-17-9-5-6-10-18(17)24-2/h4-11H,3,12-15H2,1-2H3,(H2,21,22,23)
InChIKeyHRLREHVVNXIOAA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.18
Rot. Bonds9

About 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 112971672) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID112971672
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)NCCc1ccccc1OC
InChIInChI=1S/C20H26N2O3/c1-3-16-8-4-7-11-19(16)25-15-14-22-20(23)21-13-12-17-9-5-6-10-18(17)24-2/h4-11H,3,12-15H2,1-2H3,(H2,21,22,23)
InChIKeyHRLREHVVNXIOAA-UHFFFAOYSA-N
XLogP3.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.18
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-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971684
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 112971672) is 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea is CCc1ccccc1OCCNC(=O)NCCc1ccccc1OC.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is HRLREHVVNXIOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-16-8-4-7-11-19(16)25-15-14-22-20(23)21-13-12-17-9-5-6-10-18(17)24-2/h4-11H,3,12-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 112971672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).