N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide

C11H21NO7 — CID 177155402

IUPACN-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide
SMILESO=CNCCOCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C11H21NO7/c13-6-9-11(16)8(15)5-10(19-9)18-4-3-17-2-1-12-7-14/h7-11,13,15-16H,1-6H2,(H,12,14)
InChIKeyQTYFYACMENGTPR-UHFFFAOYSA-N
MW279.29 g/mol
LogP-2.41
Rot. Bonds9

About N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide

N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide (PubChem CID 177155402) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide
PubChem CID177155402
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC NameN-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide
SMILESO=CNCCOCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C11H21NO7/c13-6-9-11(16)8(15)5-10(19-9)18-4-3-17-2-1-12-7-14/h7-11,13,15-16H,1-6H2,(H,12,14)
InChIKeyQTYFYACMENGTPR-UHFFFAOYSA-N
XLogP-2.41
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[2-[2-[2-[(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetamide
CID 166695265
CID 177155400
CID 177155400
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 172627567
4-[(Z)-1-amino-2-[amino-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]amino]ethenyl]benzaldehyde
CID 163289913
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 123961966
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
(3S,6R)-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 71098378

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide (CID 177155402) is N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide is O=CNCCOCCOC1CC(O)C(O)C(CO)O1.
What is the InChIKey of N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide?
The InChIKey is QTYFYACMENGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO7/c13-6-9-11(16)8(15)5-10(19-9)18-4-3-17-2-1-12-7-14/h7-11,13,15-16H,1-6H2,(H,12,14).
What are the key properties of N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide?
N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide has a molecular weight of 279.29 g/mol, XLogP of -2.41, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]formamide is sourced from PubChem (CID 177155402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).