N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C20H39NO6 — CID 3123166

IUPACN-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C20H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-26-20-17(21-15(2)23)19(25)18(24)16(14-22)27-20/h16-20,22,24-25H,3-14H2,1-2H3,(H,21,23)
InChIKeyYNPQAQWLYWACJR-UHFFFAOYSA-N
MW389.53 g/mol
LogP1.87
Rot. Bonds14

About N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 3123166) has the molecular formula C20H39NO6 and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID3123166
Molecular FormulaC20H39NO6
Molecular Weight389.53 g/mol
Exact Mass389.28
IUPAC NameN-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C20H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-26-20-17(21-15(2)23)19(25)18(24)16(14-22)27-20/h16-20,22,24-25H,3-14H2,1-2H3,(H,21,23)
InChIKeyYNPQAQWLYWACJR-UHFFFAOYSA-N
XLogP1.87
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 3123166) is N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O.
What is the InChIKey of N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is YNPQAQWLYWACJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-26-20-17(21-15(2)23)19(25)18(24)16(14-22)27-20/h16-20,22,24-25H,3-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 389.53 g/mol, XLogP of 1.87, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-dodecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 3123166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).