N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide

C13H25NO7 — CID 139295558

IUPACN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1C(O)O[C@H](COCCOC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H25NO7/c1-3-4-9(15)14-10-12(17)11(16)8(21-13(10)18)7-20-6-5-19-2/h8,10-13,16-18H,3-7H2,1-2H3,(H,14,15)/t8-,10-,11-,12-,13?/m1/s1
InChIKeyIWKXKDNIALXUKX-FLBHPLMVSA-N
MW307.34 g/mol
LogP-1.63
Rot. Bonds8

About N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide

N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide (PubChem CID 139295558) has the molecular formula C13H25NO7 and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide
PubChem CID139295558
Molecular FormulaC13H25NO7
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC NameN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1C(O)O[C@H](COCCOC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H25NO7/c1-3-4-9(15)14-10-12(17)11(16)8(21-13(10)18)7-20-6-5-19-2/h8,10-13,16-18H,3-7H2,1-2H3,(H,14,15)/t8-,10-,11-,12-,13?/m1/s1
InChIKeyIWKXKDNIALXUKX-FLBHPLMVSA-N
XLogP-1.63
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide 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

[(2R,3S,4R,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methyl butanoate
CID 139295403
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
4-[[(2R,3S,4R,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-oxobutanoic acid
CID 139295352
[2-[[(2R,3S,4R,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-trimethylazanium;hydrochloride
CID 159491582
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 159537443
[(2R,3S,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 139295368
2-methoxy-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 90352180
2-methoxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 122524880
N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(2-hydroxyethoxymethyl)oxan-3-yl]hexadecanamide
CID 10463345

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide?
The IUPAC name of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide (CID 139295558) is N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide is CCCC(=O)N[C@H]1C(O)O[C@H](COCCOC)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide?
The InChIKey is IWKXKDNIALXUKX-FLBHPLMVSA-N. The full InChI is InChI=1S/C13H25NO7/c1-3-4-9(15)14-10-12(17)11(16)8(21-13(10)18)7-20-6-5-19-2/h8,10-13,16-18H,3-7H2,1-2H3,(H,14,15)/t8-,10-,11-,12-,13?/m1/s1.
What are the key properties of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide?
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide has a molecular weight of 307.34 g/mol, XLogP of -1.63, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide is sourced from PubChem (CID 139295558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).