N-[(1-hydroxycyclohexyl)methyl]acetamide

C9H17NO2 — CID 46222403

IUPACN-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(11)10-7-9(12)5-3-2-4-6-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyJRYFLJCAPLIENT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.82
Rot. Bonds2

About N-[(1-hydroxycyclohexyl)methyl]acetamide

N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 46222403) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID46222403
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(11)10-7-9(12)5-3-2-4-6-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyJRYFLJCAPLIENT-UHFFFAOYSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 232439
N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 17964808
N-((1-hydroxycyclopentyl)methyl)pivalamide
CID 49670536
N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71989600
N-[(1-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 71989605
N-(10-hydroxy-10-methylundecyl)acetamide
CID 38360593
N-(2-cyclohexyl-2-hydroxypropyl)acetamide
CID 85365212
N-[(2R)-2-cyclohexyl-2-hydroxypropyl]acetamide
CID 101124563
N-(4-hydroxy-4-methylcyclohexyl)-2,2-dimethylpropanamide
CID 176434981
2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65110343
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113661
2,2,2-trifluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119937

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 46222403) is N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]acetamide is CC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is JRYFLJCAPLIENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)10-7-9(12)5-3-2-4-6-9/h12H,2-7H2,1H3,(H,10,11).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]acetamide?
N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 46222403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).