4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide

C13H27NO6 — CID 155358754

IUPAC4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
SMILESCC(C)(C)CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H27NO6/c1-13(2,3)5-4-10(18)14-6-8(16)11(19)12(20)9(17)7-15/h8-9,11-12,15-17,19-20H,4-7H2,1-3H3,(H,14,18)/t8-,9+,11+,12+/m0/s1
InChIKeyARCAYJXPIPDSMS-LUTQBAROSA-N
MW293.36 g/mol
LogP-1.64
Rot. Bonds8

About 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide

4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide (PubChem CID 155358754) has the molecular formula C13H27NO6 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
PubChem CID155358754
Molecular FormulaC13H27NO6
Molecular Weight293.36 g/mol
Exact Mass293.18
IUPAC Name4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
SMILESCC(C)(C)CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H27NO6/c1-13(2,3)5-4-10(18)14-6-8(16)11(19)12(20)9(17)7-15/h8-9,11-12,15-17,19-20H,4-7H2,1-3H3,(H,14,18)/t8-,9+,11+,12+/m0/s1
InChIKeyARCAYJXPIPDSMS-LUTQBAROSA-N
XLogP-1.64
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.36
LogP ≤ 5-1.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide with MolForge

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 155426705
ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
CID 171849271
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
(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
(4S)-4-[[(2S)-2-(5,5-dimethylhexanoylamino)-3-methylbutanoyl]amino]-6,6-dimethyl-5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]heptanamide
CID 146394062
5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 11079412
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
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
(2S)-N-methyl-2-(methylamino)-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanediamide
CID 59197821
N-methyl-2-(methylamino)-N'-(2,3,4,5,6-pentahydroxyhexyl)butanediamide
CID 59197838

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide (CID 155358754) is 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide is CC(C)(C)CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide?
The InChIKey is ARCAYJXPIPDSMS-LUTQBAROSA-N. The full InChI is InChI=1S/C13H27NO6/c1-13(2,3)5-4-10(18)14-6-8(16)11(19)12(20)9(17)7-15/h8-9,11-12,15-17,19-20H,4-7H2,1-3H3,(H,14,18)/t8-,9+,11+,12+/m0/s1.
What are the key properties of 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide?
4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide has a molecular weight of 293.36 g/mol, XLogP of -1.64, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide is sourced from PubChem (CID 155358754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).