N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide

C18H35NO9 — CID 166695265

IUPACN-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide
SMILESCCCCNC(=O)COCCOCCOCCOC1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C18H35NO9/c1-2-3-4-19-16(22)13-26-8-7-24-5-6-25-9-10-27-17-11-14(21)18(23)15(12-20)28-17/h14-15,17-18,20-21,23H,2-13H2,1H3,(H,19,22)/t14-,15-,17?,18-/m1/s1
InChIKeyGCYAVEKMDZBARX-IXOSTLECSA-N
MW409.48 g/mol
LogP-1.20
Rot. Bonds16

About N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide

N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide (PubChem CID 166695265) has the molecular formula C18H35NO9 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide
PubChem CID166695265
Molecular FormulaC18H35NO9
Molecular Weight409.48 g/mol
Exact Mass409.23
IUPAC NameN-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide
SMILESCCCCNC(=O)COCCOCCOCCOC1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C18H35NO9/c1-2-3-4-19-16(22)13-26-8-7-24-5-6-25-9-10-27-17-11-14(21)18(23)15(12-20)28-17/h14-15,17-18,20-21,23H,2-13H2,1H3,(H,19,22)/t14-,15-,17?,18-/m1/s1
InChIKeyGCYAVEKMDZBARX-IXOSTLECSA-N
XLogP-1.20
TPSA135.94 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
[(2R,3R,4R,6R)-3,4-diacetyloxy-6-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 126647911
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
N-[2-[2-[2-[2-[2-oxo-2-[2-[2-[2-[2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentacosanamide
CID 71571685
2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide
CID 118408549
N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide
CID 177155402
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-octyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
CID 102322034
(2S)-2-[[(2S)-6-[[2-[2-[2-[2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]-6-[[2-[2-[2-[2-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 126648153
[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
CID 167273252

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide?
The IUPAC name of N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide (CID 166695265) is N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide is CCCCNC(=O)COCCOCCOCCOC1C[C@@H](O)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide?
The InChIKey is GCYAVEKMDZBARX-IXOSTLECSA-N. The full InChI is InChI=1S/C18H35NO9/c1-2-3-4-19-16(22)13-26-8-7-24-5-6-25-9-10-27-17-11-14(21)18(23)15(12-20)28-17/h14-15,17-18,20-21,23H,2-13H2,1H3,(H,19,22)/t14-,15-,17?,18-/m1/s1.
What are the key properties of N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide?
N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide has a molecular weight of 409.48 g/mol, XLogP of -1.20, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 166695265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).