N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide

C14H25NO2 — CID 101432144

IUPACN-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide
SMILESO=C(NC(O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c16-13(11-7-3-1-4-8-11)15-14(17)12-9-5-2-6-10-12/h11-13,16H,1-10H2,(H,15,17)
InChIKeyUTAGVGZQRAELNZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.58
Rot. Bonds3

About N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide

N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide (PubChem CID 101432144) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide
PubChem CID101432144
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide
SMILESO=C(NC(O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c16-13(11-7-3-1-4-8-11)15-14(17)12-9-5-2-6-10-12/h11-13,16H,1-10H2,(H,15,17)
InChIKeyUTAGVGZQRAELNZ-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
N-hydroxycyclohexanecarboxamide;hydrochloride
CID 174569477
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 94867461
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N-(1-piperidin-4-ylethyl)cyclooctanecarboxamide
CID 65018639

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide (CID 101432144) is N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide is O=C(NC(O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide?
The InChIKey is UTAGVGZQRAELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-13(11-7-3-1-4-8-11)15-14(17)12-9-5-2-6-10-12/h11-13,16H,1-10H2,(H,15,17).
What are the key properties of N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide?
N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(hydroxy)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 101432144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).