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

C18H22N2O2 — CID 108870709

IUPAC1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22N2O2/c1-12-5-8-17(15(4)9-12)22-11-19-18(21)20-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyDWTPBHXWWIBMJZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.08
Rot. Bonds4

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

1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 108870709) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
PubChem CID108870709
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22N2O2/c1-12-5-8-17(15(4)9-12)22-11-19-18(21)20-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyDWTPBHXWWIBMJZ-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-tert-butyl-4-methylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
CID 108877638
1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea
CID 108870703
1-(4-tert-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870775
3-[(2,4-dimethylphenoxy)methylcarbamoylamino]benzoic acid
CID 108870540
1-(4-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870572
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
1-[3-(dimethylamino)propyl]-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870723
1-[(2-tert-butyl-4-methylphenoxy)methyl]-3-(4-methylphenyl)urea
CID 108877472

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea (CID 108870709) is 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(OCNC(=O)Nc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is DWTPBHXWWIBMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-5-8-17(15(4)9-12)22-11-19-18(21)20-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea?
1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-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-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 108870709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).