3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea

C15H26N2O3 — CID 61233632

IUPAC3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N(CCO)CCO
InChIInChI=1S/C15H26N2O3/c18-3-1-17(2-4-19)14(20)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,18-19H,1-10H2,(H,16,20)
InChIKeyXWMFTKZBBLEUTL-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.95
Rot. Bonds5

About 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea

3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea (PubChem CID 61233632) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
PubChem CID61233632
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N(CCO)CCO
InChIInChI=1S/C15H26N2O3/c18-3-1-17(2-4-19)14(20)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,18-19H,1-10H2,(H,16,20)
InChIKeyXWMFTKZBBLEUTL-UHFFFAOYSA-N
XLogP0.95
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
CID 54879606
3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea
CID 108896040
N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
CID 60653107
2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid
CID 135232399
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 6624810
N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 658181
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516835
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea (CID 61233632) is 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea is O=C(NC12CC3CC(CC(C3)C1)C2)N(CCO)CCO.
What is the InChIKey of 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is XWMFTKZBBLEUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-3-1-17(2-4-19)14(20)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,18-19H,1-10H2,(H,16,20).
What are the key properties of 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea?
3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 282.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 61233632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).