N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide

C18H30N2O — CID 144523078

IUPACN-cyclohexyl-4-(methylamino)adamantane-1-carboxamide
SMILESCNC1C2CC3CC1CC(C(=O)NC1CCCCC1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-19-16-13-7-12-8-14(16)11-18(9-12,10-13)17(21)20-15-5-3-2-4-6-15/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyFFSYIRRNRYICRD-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.85
Rot. Bonds3

About N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide

N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide (PubChem CID 144523078) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(methylamino)adamantane-1-carboxamide
PubChem CID144523078
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-cyclohexyl-4-(methylamino)adamantane-1-carboxamide
SMILESCNC1C2CC3CC1CC(C(=O)NC1CCCCC1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-19-16-13-7-12-8-14(16)11-18(9-12,10-13)17(21)20-15-5-3-2-4-6-15/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyFFSYIRRNRYICRD-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218392
N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
CID 94043121
4-[[1-[(2-chlorophenyl)sulfonyl-methylamino]cyclobutanecarbonyl]amino]-N-cyclohexyladamantane-1-carboxamide
CID 71246342
(5S,7R)-3-bromo-N-cyclohexyladamantane-1-carboxamide
CID 7732702
N-[4-(adamantane-1-carbonylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]adamantane-1-carboxamide
CID 171722406
[1-(cyclohexylamino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 5022944
cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120677052
4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxoazetidin-1-yl]-N-cyclohexyladamantane-1-carboxamide
CID 59248945
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
N-[3-(adamantane-1-carbonylamino)-5-fluorocyclohexyl]adamantane-1-carboxamide
CID 171722471
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
N-[3-(adamantane-1-carbonylamino)-5-(1-adamantyl)cyclohexyl]adamantane-1-carboxamide
CID 171722197

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide (CID 144523078) is N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide is CNC1C2CC3CC1CC(C(=O)NC1CCCCC1)(C3)C2.
What is the InChIKey of N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide?
The InChIKey is FFSYIRRNRYICRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-19-16-13-7-12-8-14(16)11-18(9-12,10-13)17(21)20-15-5-3-2-4-6-15/h12-16,19H,2-11H2,1H3,(H,20,21).
What are the key properties of N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide?
N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(methylamino)adamantane-1-carboxamide is sourced from PubChem (CID 144523078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).