N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide

C20H36N2O8 — CID 155384355

IUPACN'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide
SMILESC[C@H]1CCC(O)C(OCCNC(=O)CCCC(=O)NCCOC2OCCCC2O)O1
InChIInChI=1S/C20H36N2O8/c1-14-7-8-16(24)20(30-14)29-13-10-22-18(26)6-2-5-17(25)21-9-12-28-19-15(23)4-3-11-27-19/h14-16,19-20,23-24H,2-13H2,1H3,(H,21,25)(H,22,26)/t14-,15?,16?,19?,20?/m0/s1
InChIKeyBVBSYGMXJFSOTR-HUYRZILQSA-N
MW432.51 g/mol
LogP-0.19
Rot. Bonds12

About N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide

N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide (PubChem CID 155384355) has the molecular formula C20H36N2O8 and a molecular weight of 432.51 g/mol. Its IUPAC name is N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide.

Molecular Properties

Compound NameN'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide
PubChem CID155384355
Molecular FormulaC20H36N2O8
Molecular Weight432.51 g/mol
Exact Mass432.25
IUPAC NameN'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide
SMILESC[C@H]1CCC(O)C(OCCNC(=O)CCCC(=O)NCCOC2OCCCC2O)O1
InChIInChI=1S/C20H36N2O8/c1-14-7-8-16(24)20(30-14)29-13-10-22-18(26)6-2-5-17(25)21-9-12-28-19-15(23)4-3-11-27-19/h14-16,19-20,23-24H,2-13H2,1H3,(H,21,25)(H,22,26)/t14-,15?,16?,19?,20?/m0/s1
InChIKeyBVBSYGMXJFSOTR-HUYRZILQSA-N
XLogP-0.19
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide with MolForge

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Related Compounds

(2S)-2-[(7,7-dimethyl-6-oxooctanoyl)amino]-N,N'-bis[2-[(2R,3S,6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]butanediamide
CID 134458079
ethane;N-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-2-(2-methylprop-2-enylamino)acetamide
CID 155734916
(2,5-dihydroxypyrrol-1-yl) 6-[[1-(2-hydroxyethylamino)-4-[2-(3-hydroxy-6-methyloxan-2-yl)oxyethylamino]-1,4-dioxobutan-2-yl]amino]-6-oxohexanoate
CID 123544708
(2,5-dioxopyrrolidin-1-yl) 6-[[1-(2-hydroxyethylamino)-4-[2-[(2R,3S,6S)-3-hydroxy-6-methyloxan-2-yl]oxyethylamino]-1,4-dioxobutan-2-yl]amino]-6-oxohexanoate
CID 144823213
(2R)-2-decoxyoxan-3-ol
CID 164930030
2-(3-aminopropoxy)oxan-3-ol;methanol
CID 176676704
(2S,3S)-2-prop-2-enoxyoxan-3-ol
CID 130770210
(2,5-dihydroxypyrrol-1-yl) 4-[2-(3,4-dihydroxy-6-methyloxan-2-yl)oxyethylamino]-4-oxobutanoate
CID 123865227
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide
CID 7303816
N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide
CID 91160205
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide?
The IUPAC name of N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide (CID 155384355) is N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide.
What is the SMILES notation for N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide?
The canonical SMILES for N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide is C[C@H]1CCC(O)C(OCCNC(=O)CCCC(=O)NCCOC2OCCCC2O)O1.
What is the InChIKey of N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide?
The InChIKey is BVBSYGMXJFSOTR-HUYRZILQSA-N. The full InChI is InChI=1S/C20H36N2O8/c1-14-7-8-16(24)20(30-14)29-13-10-22-18(26)6-2-5-17(25)21-9-12-28-19-15(23)4-3-11-27-19/h14-16,19-20,23-24H,2-13H2,1H3,(H,21,25)(H,22,26)/t14-,15?,16?,19?,20?/m0/s1.
What are the key properties of N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide?
N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide has a molecular weight of 432.51 g/mol, XLogP of -0.19, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide is sourced from PubChem (CID 155384355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).