1-(1-adamantyl)-3-(4-oxocyclohexyl)urea

C17H26N2O2 — CID 16756507

IUPAC1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
SMILESO=C1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H26N2O2/c20-15-3-1-14(2-4-15)18-16(21)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,18,19,21)
InChIKeyPPGBWGWQPDCIBV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.77
Rot. Bonds2

About 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea

1-(1-adamantyl)-3-(4-oxocyclohexyl)urea (PubChem CID 16756507) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
PubChem CID16756507
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
SMILESO=C1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H26N2O2/c20-15-3-1-14(2-4-15)18-16(21)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,18,19,21)
InChIKeyPPGBWGWQPDCIBV-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
1-cyclobutyl-3-(4-oxocyclohexyl)urea
CID 116658369
4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3220721
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
[4-(1-adamantylcarbamoylamino)cyclohexyl] benzoate
CID 59168665
pentyl 4-(1-adamantylcarbamoylamino)cyclohexane-1-carboxylate
CID 59168661
1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
CID 25073904
3-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
CID 16757353
1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea
CID 11525463
ethyl 7-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxyheptanoate
CID 11655301
1-tert-butyl-3-(4-oxocyclohexyl)urea
CID 43652951

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea (CID 16756507) is 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea is O=C1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea?
The InChIKey is PPGBWGWQPDCIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-15-3-1-14(2-4-15)18-16(21)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,18,19,21).
What are the key properties of 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea?
1-(1-adamantyl)-3-(4-oxocyclohexyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(4-oxocyclohexyl)urea is sourced from PubChem (CID 16756507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).