ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide

C22H48N2O3 — CID 166550158

IUPACethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide
SMILESCC.CC.CC.CCCCCCCC(=O)NCC(=O)N1CCC(CO)CC1
InChIInChI=1S/C16H30N2O3.3C2H6/c1-2-3-4-5-6-7-15(20)17-12-16(21)18-10-8-14(13-19)9-11-18;3*1-2/h14,19H,2-13H2,1H3,(H,17,20);3*1-2H3
InChIKeyPCOASNIKVYXCIS-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.77
Rot. Bonds9

About ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide

ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide (PubChem CID 166550158) has the molecular formula C22H48N2O3 and a molecular weight of 388.64 g/mol. Its IUPAC name is ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide.

Molecular Properties

Compound Nameethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide
PubChem CID166550158
Molecular FormulaC22H48N2O3
Molecular Weight388.64 g/mol
Exact Mass388.37
IUPAC Nameethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide
SMILESCC.CC.CC.CCCCCCCC(=O)NCC(=O)N1CCC(CO)CC1
InChIInChI=1S/C16H30N2O3.3C2H6/c1-2-3-4-5-6-7-15(20)17-12-16(21)18-10-8-14(13-19)9-11-18;3*1-2/h14,19H,2-13H2,1H3,(H,17,20);3*1-2H3
InChIKeyPCOASNIKVYXCIS-UHFFFAOYSA-N
XLogP4.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
N-(hydroxymethyl)henicosanamide
CID 102116485
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
(2S)-3-hydroxy-2-[[(2S)-1-[2-(tetradecanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 175706142
methyl (2S)-1-[2-[[2-(decanoylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylate
CID 22294726

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide?
The IUPAC name of ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide (CID 166550158) is ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide.
What is the SMILES notation for ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide?
The canonical SMILES for ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide is CC.CC.CC.CCCCCCCC(=O)NCC(=O)N1CCC(CO)CC1.
What is the InChIKey of ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide?
The InChIKey is PCOASNIKVYXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3.3C2H6/c1-2-3-4-5-6-7-15(20)17-12-16(21)18-10-8-14(13-19)9-11-18;3*1-2/h14,19H,2-13H2,1H3,(H,17,20);3*1-2H3.
What are the key properties of ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide?
ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide has a molecular weight of 388.64 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide is sourced from PubChem (CID 166550158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).