[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate

C18H28N2O2 — CID 134351227

IUPAC[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate
SMILESCC(C)C1CC[C@@H](C)C[C@H]1OC(=O)NCCc1ccccn1
InChIInChI=1S/C18H28N2O2/c1-13(2)16-8-7-14(3)12-17(16)22-18(21)20-11-9-15-6-4-5-10-19-15/h4-6,10,13-14,16-17H,7-9,11-12H2,1-3H3,(H,20,21)/t14-,16?,17-/m1/s1
InChIKeyBEYHPDHSBKJDJG-NZIKIWFDSA-N
MW304.43 g/mol
LogP3.81
Rot. Bonds5

About [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate

[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate (PubChem CID 134351227) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate.

Molecular Properties

Compound Name[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate
PubChem CID134351227
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate
SMILESCC(C)C1CC[C@@H](C)C[C@H]1OC(=O)NCCc1ccccn1
InChIInChI=1S/C18H28N2O2/c1-13(2)16-8-7-14(3)12-17(16)22-18(21)20-11-9-15-6-4-5-10-19-15/h4-6,10,13-14,16-17H,7-9,11-12H2,1-3H3,(H,20,21)/t14-,16?,17-/m1/s1
InChIKeyBEYHPDHSBKJDJG-NZIKIWFDSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 75252742
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]propanoic acid
CID 152767217
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1S)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]carbamate
CID 51682285
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one
CID 67188253
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[5-(2-amino-1H-imidazol-5-yl)pentyl]carbamate;hydrochloride
CID 53321421
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylamino]propyl carbonate
CID 58534203
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 67284066
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate?
The IUPAC name of [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate (CID 134351227) is [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate.
What is the SMILES notation for [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate?
The canonical SMILES for [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate is CC(C)C1CC[C@@H](C)C[C@H]1OC(=O)NCCc1ccccn1.
What is the InChIKey of [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate?
The InChIKey is BEYHPDHSBKJDJG-NZIKIWFDSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)16-8-7-14(3)12-17(16)22-18(21)20-11-9-15-6-4-5-10-19-15/h4-6,10,13-14,16-17H,7-9,11-12H2,1-3H3,(H,20,21)/t14-,16?,17-/m1/s1.
What are the key properties of [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate?
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate is sourced from PubChem (CID 134351227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).