N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide

C12H24N2O6 — CID 176836986

IUPACN,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
SMILESCNC(=O)C(C)CCC(=O)NCC(O)C(O)C(O)CO
InChIInChI=1S/C12H24N2O6/c1-7(12(20)13-2)3-4-10(18)14-5-8(16)11(19)9(17)6-15/h7-9,11,15-17,19H,3-6H2,1-2H3,(H,13,20)(H,14,18)
InChIKeyFZXFYZUTHMSKPU-UHFFFAOYSA-N
MW292.33 g/mol
LogP-2.66
Rot. Bonds9

About N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide

N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide (PubChem CID 176836986) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide.

Molecular Properties

Compound NameN,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
PubChem CID176836986
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC NameN,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
SMILESCNC(=O)C(C)CCC(=O)NCC(O)C(O)C(O)CO
InChIInChI=1S/C12H24N2O6/c1-7(12(20)13-2)3-4-10(18)14-5-8(16)11(19)9(17)6-15/h7-9,11,15-17,19H,3-6H2,1-2H3,(H,13,20)(H,14,18)
InChIKeyFZXFYZUTHMSKPU-UHFFFAOYSA-N
XLogP-2.66
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.33
LogP ≤ 5-2.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-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
(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)-2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]-N,N'-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 177094516
4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
CID 155358754
5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 155426705
5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 11079412
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
CID 171849271
potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide
CID 172602423
2-[3-[2-(tert-butylamino)ethoxy]propanoylamino]-N,N'-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 166658177

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide?
The IUPAC name of N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide (CID 176836986) is N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide.
What is the SMILES notation for N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide?
The canonical SMILES for N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide is CNC(=O)C(C)CCC(=O)NCC(O)C(O)C(O)CO.
What is the InChIKey of N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide?
The InChIKey is FZXFYZUTHMSKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-7(12(20)13-2)3-4-10(18)14-5-8(16)11(19)9(17)6-15/h7-9,11,15-17,19H,3-6H2,1-2H3,(H,13,20)(H,14,18).
What are the key properties of N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide?
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide has a molecular weight of 292.33 g/mol, XLogP of -2.66, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide is sourced from PubChem (CID 176836986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).