ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide

C14H29NO7 — CID 171849271

IUPACethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
SMILESCC.CC(=O)CCCC(=O)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C12H23NO7.C2H6/c1-7(15)3-2-4-10(18)13-5-8(16)11(19)12(20)9(17)6-14;1-2/h8-9,11-12,14,16-17,19-20H,2-6H2,1H3,(H,13,18);1-2H3
InChIKeyQXWMRUIVHJGYSC-UHFFFAOYSA-N
MW323.39 g/mol
LogP-1.68
Rot. Bonds10

About ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide

ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide (PubChem CID 171849271) has the molecular formula C14H29NO7 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide.

Molecular Properties

Compound Nameethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
PubChem CID171849271
Molecular FormulaC14H29NO7
Molecular Weight323.39 g/mol
Exact Mass323.19
IUPAC Nameethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
SMILESCC.CC(=O)CCCC(=O)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C12H23NO7.C2H6/c1-7(15)3-2-4-10(18)13-5-8(16)11(19)12(20)9(17)6-14;1-2/h8-9,11-12,14,16-17,19-20H,2-6H2,1H3,(H,13,18);1-2H3
InChIKeyQXWMRUIVHJGYSC-UHFFFAOYSA-N
XLogP-1.68
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 5-1.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 155426705
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
CID 155358754
5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 11079412
(2S)-2-methyl-N-[(2R)-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]-N'-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 91616464
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[3-oxo-3-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanediamide
CID 175634239
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]urea
CID 167299354
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
(2S,4R)-1-methyl-4-[[5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]pyrrolidine-2-carbonyl iodide
CID 170258224
potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide
CID 172602423
(2S)-2-[[(1R,2S)-1-hydroxy-2-methyl-5-oxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentyl]amino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
CID 91597502
(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
CID 160566842

Frequently Asked Questions

What is the IUPAC name of ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?
The IUPAC name of ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide (CID 171849271) is ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide.
What is the SMILES notation for ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?
The canonical SMILES for ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide is CC.CC(=O)CCCC(=O)NCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?
The InChIKey is QXWMRUIVHJGYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO7.C2H6/c1-7(15)3-2-4-10(18)13-5-8(16)11(19)12(20)9(17)6-14;1-2/h8-9,11-12,14,16-17,19-20H,2-6H2,1H3,(H,13,18);1-2H3.
What are the key properties of ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide?
ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide has a molecular weight of 323.39 g/mol, XLogP of -1.68, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide is sourced from PubChem (CID 171849271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).