1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea

C18H22N2O2 — CID 108888749

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCOc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(2)16-11-7-8-14(3)17(16)20-18(21)19-12-22-15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3,(H2,19,20,21)
InChIKeyZRLJULYPJYAHIT-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea

1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea (PubChem CID 108888749) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
PubChem CID108888749
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCOc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(2)16-11-7-8-14(3)17(16)20-18(21)19-12-22-15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3,(H2,19,20,21)
InChIKeyZRLJULYPJYAHIT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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

3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 7790431
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea (CID 108888749) is 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea is Cc1cccc(C(C)C)c1NC(=O)NCOc1ccccc1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea?
The InChIKey is ZRLJULYPJYAHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)16-11-7-8-14(3)17(16)20-18(21)19-12-22-15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea has a molecular weight of 298.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).