N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide

C14H27NO5 — CID 174162655

IUPACN-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide
SMILESCCC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(=O)C(C)(C)C
InChIInChI=1S/C14H27NO5/c1-5-6-8-10(15-13(19)14(2,3)4)12(18)11(17)9(7-16)20-8/h8-12,16-18H,5-7H2,1-4H3,(H,15,19)/t8-,9-,10-,11-,12-/m1/s1
InChIKeyMDGKKBIEBHGOIB-LZQZFOIKSA-N
MW289.37 g/mol
LogP-0.20
Rot. Bonds4

About N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide

N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide (PubChem CID 174162655) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide
PubChem CID174162655
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC NameN-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide
SMILESCCC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(=O)C(C)(C)C
InChIInChI=1S/C14H27NO5/c1-5-6-8-10(15-13(19)14(2,3)4)12(18)11(17)9(7-16)20-8/h8-12,16-18H,5-7H2,1-4H3,(H,15,19)/t8-,9-,10-,11-,12-/m1/s1
InChIKeyMDGKKBIEBHGOIB-LZQZFOIKSA-N
XLogP-0.20
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 20760803
N-[(3R,4R,5R,6R)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138493410
N-[(2S,3R,4R,5R,6R)-2-(2,2-dimethylpropyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 169019001
N,N'-bis[(2S,3R,4R,5S,6R)-2-ethylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2,2-dimethylpropanediamide
CID 25242981
N-[(3R,4R,5R,6R)-2-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 173295647
2,2,2-trichloro-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129387737
2,2,2-trifluoro-N-[(4S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 172641852
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971
N-[(3R)-2-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 130402782
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(7-oxooctyl)oxan-3-yl]acetamide
CID 155214539
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide (CID 174162655) is N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide is CCC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(=O)C(C)(C)C.
What is the InChIKey of N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is MDGKKBIEBHGOIB-LZQZFOIKSA-N. The full InChI is InChI=1S/C14H27NO5/c1-5-6-8-10(15-13(19)14(2,3)4)12(18)11(17)9(7-16)20-8/h8-12,16-18H,5-7H2,1-4H3,(H,15,19)/t8-,9-,10-,11-,12-/m1/s1.
What are the key properties of N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide?
N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 289.37 g/mol, XLogP of -0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propyloxan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 174162655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).