N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide

C17H33NO6 — CID 3115262

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-nonoxyoxan-3-yl]acetamide
SMILESCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C
InChIInChI=1S/C17H33NO6/c1-3-4-5-6-7-8-9-10-23-17-14(18-12(2)20)16(22)15(21)13(11-19)24-17/h13-17,19,21-22H,3-11H2,1-2H3,(H,18,20)
InChIKeyCTRCWYGGVOETGG-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.90
Rot. Bonds11

About N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide

N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide (PubChem CID 3115262) has the molecular formula C17H33NO6 and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-nonoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide
PubChem CID3115262
Molecular FormulaC17H33NO6
Molecular Weight347.40 g/mol
Exact Mass347.23
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-nonoxyoxan-3-yl]acetamide
SMILESCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C
InChIInChI=1S/C17H33NO6/c1-3-4-5-6-7-8-9-10-23-17-14(18-12(2)20)16(22)15(21)13(11-19)24-17/h13-17,19,21-22H,3-11H2,1-2H3,(H,18,20)
InChIKeyCTRCWYGGVOETGG-UHFFFAOYSA-N
XLogP1.90
TPSA108.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-alpha-D-galactosamine
CID 84265
N-Acetyllactosamine
CID 439271
Alpha-Galactosylceramide
CID 2826713
alpha-D-N-Acetylmannosamine
CID 644170
N-Acetyl-D-Glucosamine
CID 439174
N-acetyl-beta-D-galactosamine
CID 440552
N-Acetyl-D-Mannosamine
CID 439281
2-(Acetylamino)-2-deoxy-beta-D-mannopyranose
CID 11096158
N-Acetyl-Hexosamine
CID 899
N-Acetyl-Alpha-D-Glucosamine
CID 82313
N-ACETYL-beta-D-GLUCOSAMINE
CID 24139
beta-D-Manp-(1->4)-beta-D-GlcpNAc
CID 70698368

Frequently Asked Questions

What is the IUPAC name of N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide?
The IUPAC name of N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide (CID 3115262) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-nonoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide?
The canonical SMILES for N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide is CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C.
What is the InChIKey of N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide?
The InChIKey is CTRCWYGGVOETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO6/c1-3-4-5-6-7-8-9-10-23-17-14(18-12(2)20)16(22)15(21)13(11-19)24-17/h13-17,19,21-22H,3-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide?
N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.90, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-Dihydroxy-6-hydroxymethyl-2-nonyloxy-tetrahydro-pyran-3-yl)-acetamide is sourced from PubChem (CID 3115262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).