1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea

C15H24N2O3 — CID 3743280

IUPAC1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOC(CNC(=O)Nc1c(C)cccc1C(C)C)OC
InChIInChI=1S/C15H24N2O3/c1-10(2)12-8-6-7-11(3)14(12)17-15(18)16-9-13(19-4)20-5/h6-8,10,13H,9H2,1-5H3,(H2,16,17,18)
InChIKeyZIIWLNWOGSLNMG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds6

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

1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 3743280) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID3743280
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOC(CNC(=O)Nc1c(C)cccc1C(C)C)OC
InChIInChI=1S/C15H24N2O3/c1-10(2)12-8-6-7-11(3)14(12)17-15(18)16-9-13(19-4)20-5/h6-8,10,13H,9H2,1-5H3,(H2,16,17,18)
InChIKeyZIIWLNWOGSLNMG-UHFFFAOYSA-N
XLogP2.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75691217
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
CID 108888749
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 3743280) is 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is COC(CNC(=O)Nc1c(C)cccc1C(C)C)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is ZIIWLNWOGSLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)12-8-6-7-11(3)14(12)17-15(18)16-9-13(19-4)20-5/h6-8,10,13H,9H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 3743280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).