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

C19H24N2O2 — CID 112971668

IUPAC1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
SMILESCCc1ccccc1OCCNC(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-2-17-10-6-7-11-18(17)23-15-14-21-19(22)20-13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H2,20,21,22)
InChIKeyRQIIOKMOWBFFKO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.17
Rot. Bonds8

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

1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea (PubChem CID 112971668) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
PubChem CID112971668
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
SMILESCCc1ccccc1OCCNC(=O)NCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-2-17-10-6-7-11-18(17)23-15-14-21-19(22)20-13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H2,20,21,22)
InChIKeyRQIIOKMOWBFFKO-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.17
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

1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971684
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 52743823
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea (CID 112971668) is 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea is CCc1ccccc1OCCNC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is RQIIOKMOWBFFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-17-10-6-7-11-18(17)23-15-14-21-19(22)20-13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea?
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 112971668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).