1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea

C18H22N2O2 — CID 108878458

IUPAC1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCOc1cccc(C)c1C
InChIInChI=1S/C18H22N2O2/c1-4-15-9-5-6-10-16(15)20-18(21)19-12-22-17-11-7-8-13(2)14(17)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyOLDINMUNAGUUQS-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.02
Rot. Bonds5

About 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea

1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea (PubChem CID 108878458) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
PubChem CID108878458
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NCOc1cccc(C)c1C
InChIInChI=1S/C18H22N2O2/c1-4-15-9-5-6-10-16(15)20-18(21)19-12-22-17-11-7-8-13(2)14(17)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyOLDINMUNAGUUQS-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butan-2-ylphenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878520
1-[(2,3-dimethylphenoxy)methyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108878287
1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108878288
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108878565
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[2-(2-chlorophenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878554
1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893462
4-[(2,3-dimethylphenoxy)methylcarbamoylamino]benzenesulfonic acid
CID 108878223
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea (CID 108878458) is 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NCOc1cccc(C)c1C.
What is the InChIKey of 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea?
The InChIKey is OLDINMUNAGUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-15-9-5-6-10-16(15)20-18(21)19-12-22-17-11-7-8-13(2)14(17)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea?
1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 108878458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).