N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide

C14H27N3O6 — CID 90330827

IUPACN-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
SMILESCC(=O)N(C(=O)CCCCCN)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H27N3O6/c1-8(19)17(10(20)5-3-2-4-6-15)14-11(16)13(22)12(21)9(7-18)23-14/h9,11-14,18,21-22H,2-7,15-16H2,1H3/t9-,11-,12-,13-,14?/m1/s1
InChIKeyHREJPCKFGLJEPJ-NKLQQJLKSA-N
MW333.39 g/mol
LogP-2.35
Rot. Bonds7

About N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide

N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide (PubChem CID 90330827) has the molecular formula C14H27N3O6 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide.

Molecular Properties

Compound NameN-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
PubChem CID90330827
Molecular FormulaC14H27N3O6
Molecular Weight333.39 g/mol
Exact Mass333.19
IUPAC NameN-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
SMILESCC(=O)N(C(=O)CCCCCN)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H27N3O6/c1-8(19)17(10(20)5-3-2-4-6-15)14-11(16)13(22)12(21)9(7-18)23-14/h9,11-14,18,21-22H,2-7,15-16H2,1H3/t9-,11-,12-,13-,14?/m1/s1
InChIKeyHREJPCKFGLJEPJ-NKLQQJLKSA-N
XLogP-2.35
TPSA159.34 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-2.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide with MolForge

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Related Compounds

N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide
CID 54363629
N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-octadecyltetradecanamide
CID 18633880
N-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyloctadecanamide
CID 18633866
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-hexadecylhexadecanamide
CID 151936284
N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide
CID 18633872
(2S)-2-[acetyl-[(3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-hydroxypropanoic acid
CID 90830548
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine
CID 175042893
6-amino-N-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 172641746
6-amino-N-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 22870450
N-octadecyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanamide
CID 13230937
N-octadecyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide
CID 13230943
N-dodecyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanamide
CID 100968021

Frequently Asked Questions

What is the IUPAC name of N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
The IUPAC name of N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide (CID 90330827) is N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide.
What is the SMILES notation for N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
The canonical SMILES for N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide is CC(=O)N(C(=O)CCCCCN)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
The InChIKey is HREJPCKFGLJEPJ-NKLQQJLKSA-N. The full InChI is InChI=1S/C14H27N3O6/c1-8(19)17(10(20)5-3-2-4-6-15)14-11(16)13(22)12(21)9(7-18)23-14/h9,11-14,18,21-22H,2-7,15-16H2,1H3/t9-,11-,12-,13-,14?/m1/s1.
What are the key properties of N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide?
N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide has a molecular weight of 333.39 g/mol, XLogP of -2.35, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide is sourced from PubChem (CID 90330827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).