N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide

C11H17NO2 — CID 106123398

IUPACN-[(4-hydroxycyclohexyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C11H17NO2/c1-2-3-11(14)12-8-9-4-6-10(13)7-5-9/h9-10,13H,4-8H2,1H3,(H,12,14)
InChIKeyBVIGTTULBCSHMY-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.68
Rot. Bonds2

About N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide

N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide (PubChem CID 106123398) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]but-2-ynamide
PubChem CID106123398
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C11H17NO2/c1-2-3-11(14)12-8-9-4-6-10(13)7-5-9/h9-10,13H,4-8H2,1H3,(H,12,14)
InChIKeyBVIGTTULBCSHMY-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
CID 106123870
N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990230
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106135461
N-[(1-but-2-ynoylazetidin-2-yl)methyl]but-2-ynamide
CID 155955010
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
CID 114148256

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide (CID 106123398) is N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide is CC#CC(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide?
The InChIKey is BVIGTTULBCSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-11(14)12-8-9-4-6-10(13)7-5-9/h9-10,13H,4-8H2,1H3,(H,12,14).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide?
N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide has a molecular weight of 195.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]but-2-ynamide is sourced from PubChem (CID 106123398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).