1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea

C18H22N2O2 — CID 56765410

IUPAC1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCc1ccc(NC(=O)NCC(C)(O)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O2/c1-13-9-10-16(11-14(13)2)20-17(21)19-12-18(3,22)15-7-5-4-6-8-15/h4-11,22H,12H2,1-3H3,(H2,19,20,21)
InChIKeyDJRVVXIWVXQBEL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.33
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea

1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 56765410) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID56765410
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCc1ccc(NC(=O)NCC(C)(O)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O2/c1-13-9-10-16(11-14(13)2)20-17(21)19-12-18(3,22)15-7-5-4-6-8-15/h4-11,22H,12H2,1-3H3,(H2,19,20,21)
InChIKeyDJRVVXIWVXQBEL-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea (CID 56765410) is 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea is Cc1ccc(NC(=O)NCC(C)(O)c2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is DJRVVXIWVXQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-9-10-16(11-14(13)2)20-17(21)19-12-18(3,22)15-7-5-4-6-8-15/h4-11,22H,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 56765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).