1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea

C18H30N2O3 — CID 91812879

IUPAC1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea
SMILESCOC1(CNC(=O)NC2CCOCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O3/c1-22-18(11-19-17(21)20-16-2-4-23-5-3-16)14-7-12-6-13(9-14)10-15(18)8-12/h12-16H,2-11H2,1H3,(H2,19,20,21)
InChIKeyUNJDRVFBPUQRFN-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.31
Rot. Bonds4

About 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea

1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea (PubChem CID 91812879) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea
PubChem CID91812879
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea
SMILESCOC1(CNC(=O)NC2CCOCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O3/c1-22-18(11-19-17(21)20-16-2-4-23-5-3-16)14-7-12-6-13(9-14)10-15(18)8-12/h12-16H,2-11H2,1H3,(H2,19,20,21)
InChIKeyUNJDRVFBPUQRFN-UHFFFAOYSA-N
XLogP2.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
CID 144904584
1-(1-adamantylmethyl)-3-cyclopropylurea
CID 47127475
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-[2-(methylsulfamoyl)ethyl]-3-(oxan-4-yl)urea
CID 110631840
1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea
CID 100678158
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113400570
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
CID 90600227
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
CID 112703946

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea (CID 91812879) is 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea is COC1(CNC(=O)NC2CCOCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea?
The InChIKey is UNJDRVFBPUQRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-22-18(11-19-17(21)20-16-2-4-23-5-3-16)14-7-12-6-13(9-14)10-15(18)8-12/h12-16H,2-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea?
1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea has a molecular weight of 322.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-adamantyl)methyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 91812879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).