1-(2-adamantyl)-3-propan-2-ylurea

C14H24N2O — CID 2133297

IUPAC1-(2-adamantyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O/c1-8(2)15-14(17)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyJOIQWMPLVKXVKP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.52
Rot. Bonds2

About 1-(2-adamantyl)-3-propan-2-ylurea

1-(2-adamantyl)-3-propan-2-ylurea (PubChem CID 2133297) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-propan-2-ylurea
PubChem CID2133297
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(2-adamantyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O/c1-8(2)15-14(17)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyJOIQWMPLVKXVKP-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.52
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-propan-2-ylurea?
The IUPAC name of 1-(2-adamantyl)-3-propan-2-ylurea (CID 2133297) is 1-(2-adamantyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-adamantyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-adamantyl)-3-propan-2-ylurea is CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-propan-2-ylurea?
The InChIKey is JOIQWMPLVKXVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-8(2)15-14(17)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2-adamantyl)-3-propan-2-ylurea?
1-(2-adamantyl)-3-propan-2-ylurea has a molecular weight of 236.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-propan-2-ylurea is sourced from PubChem (CID 2133297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).