(2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide

C14H29NO6 — CID 18637304

IUPAC(2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCCCC(CC)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H29NO6/c1-3-5-6-9(4-2)7-15-14(21)13(20)12(19)11(18)10(17)8-16/h9-13,16-20H,3-8H2,1-2H3,(H,15,21)/t9?,10-,11-,12+,13-/m1/s1
InChIKeyGUBOZUXRNZWHIW-FOMPKITHSA-N
MW307.39 g/mol
LogP-1.25
Rot. Bonds11

About (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 18637304) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID18637304
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC Name(2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCCCC(CC)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H29NO6/c1-3-5-6-9(4-2)7-15-14(21)13(20)12(19)11(18)10(17)8-16/h9-13,16-20H,3-8H2,1-2H3,(H,15,21)/t9?,10-,11-,12+,13-/m1/s1
InChIKeyGUBOZUXRNZWHIW-FOMPKITHSA-N
XLogP-1.25
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 5-1.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide with MolForge

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Related Compounds

N-(2-Hydroxyethyl)hexonamide
CID 226311
Quaternium 22
CID 40138
N-Gluconyl ethanolamine
CID 53778435
N-(3-Methoxypropyl)-D-gluconamide
CID 130850
N-octadecyl-D-gluconamide
CID 87614
N-octyl-D-gluconamide
CID 87609
(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2R)-4-hydroxybutan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
CID 73345459
Unk-Val-Leu-Gly-Lys-NHEt
CID 73353030
(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-(1,3-dihydroxypropan-2-ylamino)-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
CID 73354555
(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
CID 73356121
N-Hexyl-D-gluconamide
CID 87608
N-Decyl-D-gluconamide
CID 87610

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide (CID 18637304) is (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide is CCCCC(CC)CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is GUBOZUXRNZWHIW-FOMPKITHSA-N. The full InChI is InChI=1S/C14H29NO6/c1-3-5-6-9(4-2)7-15-14(21)13(20)12(19)11(18)10(17)8-16/h9-13,16-20H,3-8H2,1-2H3,(H,15,21)/t9?,10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide?
(2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 307.39 g/mol, XLogP of -1.25, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-N-(2-ethylhexyl)-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 18637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).