1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

C16H26N2O2 — CID 63261849

IUPAC1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c19-14(13-1-2-13)9-17-15(20)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,19H,1-9H2,(H2,17,18,20)
InChIKeyKMRUHFGTNKRMTE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds4

About 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (PubChem CID 63261849) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
PubChem CID63261849
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c19-14(13-1-2-13)9-17-15(20)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,19H,1-9H2,(H2,17,18,20)
InChIKeyKMRUHFGTNKRMTE-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
CID 62666112
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
1-(1-adamantyl)-3-[[(1S,3S)-3-[(1-adamantylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974857
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
1-(1-adamantyl)-3-(2-amino-2-sulfanylideneethyl)urea
CID 61127673
1-(1-adamantyl)-3-(piperidin-1-ium-4-ylmethyl)urea
CID 28786562
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63298478
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237441
1-(1-adamantyl)-3-hexylurea
CID 102308549
1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 73348824

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (CID 63261849) is 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is O=C(NCC(O)C1CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The InChIKey is KMRUHFGTNKRMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-14(13-1-2-13)9-17-15(20)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,19H,1-9H2,(H2,17,18,20).
What are the key properties of 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is sourced from PubChem (CID 63261849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).