3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea

C14H24N2O2 — CID 54879606

IUPAC3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24N2O2/c1-16(2-3-17)13(18)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,17H,2-9H2,1H3,(H,15,18)
InChIKeyRAJYTVCEWOKUBZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds3

About 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea

3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 54879606) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID54879606
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H24N2O2/c1-16(2-3-17)13(18)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,17H,2-9H2,1H3,(H,15,18)
InChIKeyRAJYTVCEWOKUBZ-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
CID 61233632
3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea
CID 108896040
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
3-(1-adamantyl)-1-[(1-ethylpyrazol-3-yl)methyl]-1-methylurea
CID 19456257
N'-[3-(1-adamantylamino)-3-oxopropyl]-N-[3-(dimethylamino)propyl]butanediamide
CID 23252450
N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 658181
2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid
CID 135232399
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea (CID 54879606) is 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is RAJYTVCEWOKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(2-3-17)13(18)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,17H,2-9H2,1H3,(H,15,18).
What are the key properties of 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea?
3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 252.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 54879606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).