1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea

C18H22N2O2 — CID 108892885

IUPAC1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-12-5-7-16(8-6-12)22-11-19-18(21)20-17-14(3)9-13(2)10-15(17)4/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyFBJZLSBDCJHAFV-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.08
Rot. Bonds4

About 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea

1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108892885) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID108892885
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-12-5-7-16(8-6-12)22-11-19-18(21)20-17-14(3)9-13(2)10-15(17)4/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyFBJZLSBDCJHAFV-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-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892964
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881452
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
1-(5-bromopyrimidin-2-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108893138
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
1-(3-chloropropyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892893
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
CID 108892981
ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
CID 108893109
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108893037
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea (CID 108892885) is 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea is Cc1ccc(OCNC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is FBJZLSBDCJHAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-5-7-16(8-6-12)22-11-19-18(21)20-17-14(3)9-13(2)10-15(17)4/h5-10H,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea?
1-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)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-[(4-methylphenoxy)methyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108892885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).