1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea

C16H28N2O3 — CID 107866668

IUPAC1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
SMILESCCC(CO)(CO)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O3/c1-2-15(9-19,10-20)17-14(21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13,19-20H,2-10H2,1H3,(H2,17,18,21)
InChIKeyQPDSAAABZQIRTO-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.39
Rot. Bonds5

About 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea

1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea (PubChem CID 107866668) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
PubChem CID107866668
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
SMILESCCC(CO)(CO)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O3/c1-2-15(9-19,10-20)17-14(21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13,19-20H,2-10H2,1H3,(H2,17,18,21)
InChIKeyQPDSAAABZQIRTO-UHFFFAOYSA-N
XLogP1.39
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-adamantyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111503740
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 73348824
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
1-(1-adamantyl)-3-[[(1S,3S)-3-[(1-adamantylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974857
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
CID 119643008
1-(1-adamantyl)-3-hexylurea
CID 102308549
1-(1-adamantyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915181
N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795359
(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
CID 107564760
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea (CID 107866668) is 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea is CCC(CO)(CO)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea?
The InChIKey is QPDSAAABZQIRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-15(9-19,10-20)17-14(21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13,19-20H,2-10H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea?
1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea has a molecular weight of 296.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea is sourced from PubChem (CID 107866668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).