1-(1-adamantyl)-3-(3-methylphenyl)urea

C18H24N2O — CID 27870092

IUPAC1-(1-adamantyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H24N2O/c1-12-3-2-4-16(5-12)19-17(21)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H2,19,20,21)
InChIKeyVYOKVLIXXZRJQI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.09
Rot. Bonds2

About 1-(1-adamantyl)-3-(3-methylphenyl)urea

1-(1-adamantyl)-3-(3-methylphenyl)urea (PubChem CID 27870092) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3-methylphenyl)urea
PubChem CID27870092
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-adamantyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H24N2O/c1-12-3-2-4-16(5-12)19-17(21)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H2,19,20,21)
InChIKeyVYOKVLIXXZRJQI-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3-methylphenyl)urea (CID 27870092) is 1-(1-adamantyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(1-adamantyl)-3-(3-methylphenyl)urea?
The InChIKey is VYOKVLIXXZRJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-3-2-4-16(5-12)19-17(21)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(1-adamantyl)-3-(3-methylphenyl)urea?
1-(1-adamantyl)-3-(3-methylphenyl)urea has a molecular weight of 284.40 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 27870092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).