N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide

C14H23NO — CID 124786150

IUPACN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1
InChIInChI=1S/C14H23NO/c16-14(11-4-2-1-3-5-11)15-13-9-10-6-7-12(13)8-10/h10-13H,1-9H2,(H,15,16)/t10-,12-,13-/m0/s1
InChIKeyQLUAISSKUYNJKR-DRZSPHRISA-N
MW221.34 g/mol
LogP2.87
Rot. Bonds2

About N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide (PubChem CID 124786150) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
PubChem CID124786150
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1
InChIInChI=1S/C14H23NO/c16-14(11-4-2-1-3-5-11)15-13-9-10-6-7-12(13)8-10/h10-13H,1-9H2,(H,15,16)/t10-,12-,13-/m0/s1
InChIKeyQLUAISSKUYNJKR-DRZSPHRISA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95118913
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1-carboxamide
CID 115641993
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 98112728
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
1-acetamido-3-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]thiourea
CID 21174598
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[2-[2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 98393025

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide (CID 124786150) is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide is O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1.
What is the InChIKey of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
The InChIKey is QLUAISSKUYNJKR-DRZSPHRISA-N. The full InChI is InChI=1S/C14H23NO/c16-14(11-4-2-1-3-5-11)15-13-9-10-6-7-12(13)8-10/h10-13H,1-9H2,(H,15,16)/t10-,12-,13-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide?
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide is sourced from PubChem (CID 124786150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).