1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea

C18H22N2O3 — CID 108877424

IUPAC1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCCOc1ccccc1OCNC(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O3/c1-3-22-16-10-6-7-11-17(16)23-13-20-18(21)19-12-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyRBQSOYJZFHCCQR-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.23
Rot. Bonds7

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

1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 108877424) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID108877424
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCCOc1ccccc1OCNC(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O3/c1-3-22-16-10-6-7-11-17(16)23-13-20-18(21)19-12-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyRBQSOYJZFHCCQR-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108885386
1-[(2-methylphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869935
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
1-[2-(diethylamino)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877258
methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
CID 108877191
2-(2,3-dimethylphenoxy)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43885247
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (CID 108877424) is 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is CCOc1ccccc1OCNC(=O)NCc1ccccc1C.
What is the InChIKey of 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is RBQSOYJZFHCCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-22-16-10-6-7-11-17(16)23-13-20-18(21)19-12-15-9-5-4-8-14(15)2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108877424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).