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

C20H26N2O — CID 108990495

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-13-7-9-16(3)19(18)22-20(23)21-14-8-12-17-10-5-4-6-11-17/h4-7,9-11,13,15H,8,12,14H2,1-3H3,(H2,21,22,23)
InChIKeyODXMVKIXLDVAHN-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.87
Rot. Bonds6

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

1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea (PubChem CID 108990495) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
PubChem CID108990495
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-13-7-9-16(3)19(18)22-20(23)21-14-8-12-17-10-5-4-6-11-17/h4-7,9-11,13,15H,8,12,14H2,1-3H3,(H2,21,22,23)
InChIKeyODXMVKIXLDVAHN-UHFFFAOYSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
CID 108951208
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024299
3-methyl-2-(4-phenylbutylcarbamoylamino)benzoic acid
CID 70351149
3-methyl-2-(5-phenylpentylcarbamoylamino)benzoic acid
CID 70351089
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
CID 108888749
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108874433
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 113217395

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea (CID 108990495) is 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea is Cc1cccc(C(C)C)c1NC(=O)NCCCc1ccccc1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea?
The InChIKey is ODXMVKIXLDVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)18-13-7-9-16(3)19(18)22-20(23)21-14-8-12-17-10-5-4-6-11-17/h4-7,9-11,13,15H,8,12,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea has a molecular weight of 310.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108990495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).