N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide

C15H25NO3 — CID 75388439

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)NCCC1=CCOCC1
InChIInChI=1S/C15H25NO3/c17-14(12-15(18)7-2-1-3-8-15)16-9-4-13-5-10-19-11-6-13/h5,18H,1-4,6-12H2,(H,16,17)
InChIKeyUVCWAMMBOSCGOS-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 75388439) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID75388439
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)NCCC1=CCOCC1
InChIInChI=1S/C15H25NO3/c17-14(12-15(18)7-2-1-3-8-15)16-9-4-13-5-10-19-11-6-13/h5,18H,1-4,6-12H2,(H,16,17)
InChIKeyUVCWAMMBOSCGOS-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536745
2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide
CID 110023964
N-[2-(3,5-difluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430826
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 109389130
2-(1-hydroxycyclohexyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 137202884
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537310
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540672
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide
CID 109393066
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methylurea
CID 109390182
1-cyclopentyl-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109391303

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide (CID 75388439) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)NCCC1=CCOCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is UVCWAMMBOSCGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(12-15(18)7-2-1-3-8-15)16-9-4-13-5-10-19-11-6-13/h5,18H,1-4,6-12H2,(H,16,17).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 75388439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).