1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea

C19H24N2O2 — CID 112971837

IUPAC1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCCc1cccc(OCCNC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H24N2O2/c1-3-16-8-6-10-18(13-16)23-12-11-20-19(22)21-14-17-9-5-4-7-15(17)2/h4-10,13H,3,11-12,14H2,1-2H3,(H2,20,21,22)
InChIKeyOVSMVFGSXILPBE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.44
Rot. Bonds7

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

1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 112971837) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID112971837
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCCc1cccc(OCCNC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H24N2O2/c1-3-16-8-6-10-18(13-16)23-12-11-20-19(22)21-14-17-9-5-4-7-15(17)2/h4-10,13H,3,11-12,14H2,1-2H3,(H2,20,21,22)
InChIKeyOVSMVFGSXILPBE-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.44
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-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
CID 112971923
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971994
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea (CID 112971837) is 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea is CCc1cccc(OCCNC(=O)NCc2ccccc2C)c1.
What is the InChIKey of 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is OVSMVFGSXILPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-16-8-6-10-18(13-16)23-12-11-20-19(22)21-14-17-9-5-4-7-15(17)2/h4-10,13H,3,11-12,14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 112971837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).