(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide

C11H23NO7 — CID 124819757

IUPAC(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
SMILESCCCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C11H23NO7/c1-2-3-4-12-11(19)10(18)9(17)8(16)7(15)6(14)5-13/h6-10,13-18H,2-5H2,1H3,(H,12,19)/t6-,7+,8+,9+,10+/m0/s1
InChIKeyDIEBNAGWFVUKAR-VAPHQMJDSA-N
MW281.31 g/mol
LogP-3.30
Rot. Bonds9

About (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide

(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide (PubChem CID 124819757) has the molecular formula C11H23NO7 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
PubChem CID124819757
Molecular FormulaC11H23NO7
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
SMILESCCCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C11H23NO7/c1-2-3-4-12-11(19)10(18)9(17)8(16)7(15)6(14)5-13/h6-10,13-18H,2-5H2,1H3,(H,12,19)/t6-,7+,8+,9+,10+/m0/s1
InChIKeyDIEBNAGWFVUKAR-VAPHQMJDSA-N
XLogP-3.30
TPSA150.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.31
LogP ≤ 5-3.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide with MolForge

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Related Compounds

(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(2R,3S,4S)-2,3,4,5-tetrahydroxy-N-octylpentanamide
CID 175982166
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-undecoxypropyl)hexanamide
CID 172548270
N-(4-aminobutyl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
CID 88861881
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 23193776
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
(2R,3S,4R,5R)-N-(5-aminopentyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 102510568
dodecyl-(2-hydroxyethyl)-methyl-[3-(2,3,4,5,6-pentahydroxyhexanoylamino)propyl]azanium
CID 175685350
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide?
The IUPAC name of (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide (CID 124819757) is (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide.
What is the SMILES notation for (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide?
The canonical SMILES for (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide is CCCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide?
The InChIKey is DIEBNAGWFVUKAR-VAPHQMJDSA-N. The full InChI is InChI=1S/C11H23NO7/c1-2-3-4-12-11(19)10(18)9(17)8(16)7(15)6(14)5-13/h6-10,13-18H,2-5H2,1H3,(H,12,19)/t6-,7+,8+,9+,10+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide?
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide has a molecular weight of 281.31 g/mol, XLogP of -3.30, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide is sourced from PubChem (CID 124819757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).