1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea

C18H22N2O2 — CID 108879253

IUPAC1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2c(C)cccc2C)cc1C
InChIInChI=1S/C18H22N2O2/c1-12-8-9-16(10-15(12)4)22-11-19-18(21)20-17-13(2)6-5-7-14(17)3/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyGMOVZZFHJUGGQX-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.08
Rot. Bonds4

About 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea

1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea (PubChem CID 108879253) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
PubChem CID108879253
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2c(C)cccc2C)cc1C
InChIInChI=1S/C18H22N2O2/c1-12-8-9-16(10-15(12)4)22-11-19-18(21)20-17-13(2)6-5-7-14(17)3/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyGMOVZZFHJUGGQX-UHFFFAOYSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.08
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-[(3,4-dimethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108879109
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 108879152
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-[(3,4-dimethylphenoxy)methyl]-3-pyridin-2-ylurea
CID 108879154
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 27760246
1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108879137
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 108892885
1-[(3,4-dimethylphenoxy)methyl]-3-(3-nitrophenyl)urea
CID 108879061
2-[4-[(3,4-dimethylphenoxy)methylcarbamoylamino]phenyl]acetic acid
CID 108879120
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,6-diethylphenyl)urea
CID 108877931
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea (CID 108879253) is 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea is Cc1ccc(OCNC(=O)Nc2c(C)cccc2C)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea?
The InChIKey is GMOVZZFHJUGGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-8-9-16(10-15(12)4)22-11-19-18(21)20-17-13(2)6-5-7-14(17)3/h5-10H,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea?
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 108879253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).