N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H25NO2 — CID 64867434

IUPACN-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C15H25NO2/c17-14(13-9-11-4-5-12(13)8-11)16-10-15(18)6-2-1-3-7-15/h11-13,18H,1-10H2,(H,16,17)
InChIKeyBQSNOWZXSNCCGE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.23
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 64867434) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID64867434
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C15H25NO2/c17-14(13-9-11-4-5-12(13)8-11)16-10-15(18)6-2-1-3-7-15/h11-13,18H,1-10H2,(H,16,17)
InChIKeyBQSNOWZXSNCCGE-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 65119503
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366521
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64928421
N-(2-amino-2-sulfanylideneethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366322
N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106133416
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone
CID 130494486

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 64867434) is N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC1(O)CCCCC1)C1CC2CCC1C2.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BQSNOWZXSNCCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14(13-9-11-4-5-12(13)8-11)16-10-15(18)6-2-1-3-7-15/h11-13,18H,1-10H2,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 64867434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).