1-(2-adamantyl)-3-tert-butylurea

C15H26N2O — CID 56673016

IUPAC1-(2-adamantyl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-15(2,3)17-14(18)16-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyHHXGPQYCRNUFLL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.91
Rot. Bonds1

About 1-(2-adamantyl)-3-tert-butylurea

1-(2-adamantyl)-3-tert-butylurea (PubChem CID 56673016) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-tert-butylurea
PubChem CID56673016
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-adamantyl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-15(2,3)17-14(18)16-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyHHXGPQYCRNUFLL-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-tert-butylurea?
The IUPAC name of 1-(2-adamantyl)-3-tert-butylurea (CID 56673016) is 1-(2-adamantyl)-3-tert-butylurea.
What is the SMILES notation for 1-(2-adamantyl)-3-tert-butylurea?
The canonical SMILES for 1-(2-adamantyl)-3-tert-butylurea is CC(C)(C)NC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-tert-butylurea?
The InChIKey is HHXGPQYCRNUFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)17-14(18)16-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-13H,4-8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2-adamantyl)-3-tert-butylurea?
1-(2-adamantyl)-3-tert-butylurea has a molecular weight of 250.39 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-tert-butylurea is sourced from PubChem (CID 56673016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).