1-(1-adamantyl)-3-cyclododecylurea

C23H40N2O — CID 22978783

IUPAC1-(1-adamantyl)-3-cyclododecylurea
SMILESO=C(NC1CCCCCCCCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H40N2O/c26-22(24-21-10-8-6-4-2-1-3-5-7-9-11-21)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,1-17H2,(H2,24,25,26)
InChIKeyDVDRURCDMYLXTP-UHFFFAOYSA-N
MW360.59 g/mol
LogP5.93
Rot. Bonds2

About 1-(1-adamantyl)-3-cyclododecylurea

1-(1-adamantyl)-3-cyclododecylurea (PubChem CID 22978783) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-cyclododecylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-cyclododecylurea
PubChem CID22978783
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC Name1-(1-adamantyl)-3-cyclododecylurea
SMILESO=C(NC1CCCCCCCCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H40N2O/c26-22(24-21-10-8-6-4-2-1-3-5-7-9-11-21)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,1-17H2,(H2,24,25,26)
InChIKeyDVDRURCDMYLXTP-UHFFFAOYSA-N
XLogP5.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
CID 16756507
1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea
CID 27233877
1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
CID 25073904
4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3220721
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
[4-(1-adamantylcarbamoylamino)cyclohexyl] benzoate
CID 59168665
pentyl 4-(1-adamantylcarbamoylamino)cyclohexane-1-carboxylate
CID 59168661
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea
CID 11525463
4-[(3-hydroxy-1-adamantyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023903

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-cyclododecylurea?
The IUPAC name of 1-(1-adamantyl)-3-cyclododecylurea (CID 22978783) is 1-(1-adamantyl)-3-cyclododecylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-cyclododecylurea?
The canonical SMILES for 1-(1-adamantyl)-3-cyclododecylurea is O=C(NC1CCCCCCCCCCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-cyclododecylurea?
The InChIKey is DVDRURCDMYLXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c26-22(24-21-10-8-6-4-2-1-3-5-7-9-11-21)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,1-17H2,(H2,24,25,26).
What are the key properties of 1-(1-adamantyl)-3-cyclododecylurea?
1-(1-adamantyl)-3-cyclododecylurea has a molecular weight of 360.59 g/mol, XLogP of 5.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-cyclododecylurea is sourced from PubChem (CID 22978783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).