1-(2-adamantyl)-3-(4-methoxyphenyl)urea

C18H24N2O2 — CID 23581964

IUPAC1-(2-adamantyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21)
InChIKeyXMDMNOXHNSLROT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-adamantyl)-3-(4-methoxyphenyl)urea

1-(2-adamantyl)-3-(4-methoxyphenyl)urea (PubChem CID 23581964) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(4-methoxyphenyl)urea
PubChem CID23581964
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(2-adamantyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21)
InChIKeyXMDMNOXHNSLROT-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea (CID 23581964) is 1-(2-adamantyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
The InChIKey is XMDMNOXHNSLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
1-(2-adamantyl)-3-(4-methoxyphenyl)urea has a molecular weight of 300.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 23581964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).