(2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide

C19H39NO6 — CID 15143244

IUPAC(2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide
SMILESCCCCCCCCCCCCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C19H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-20(2)19(26)18(25)17(24)16(23)15(22)14-21/h15-18,21-25H,3-14H2,1-2H3/t15-,16-,17+,18-/m1/s1
InChIKeyWRBSFINFCKCUDF-ZJPYXAASSA-N
MW377.52 g/mol
LogP0.80
Rot. Bonds16

About (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide

(2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide (PubChem CID 15143244) has the molecular formula C19H39NO6 and a molecular weight of 377.52 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide
PubChem CID15143244
Molecular FormulaC19H39NO6
Molecular Weight377.52 g/mol
Exact Mass377.28
IUPAC Name(2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide
SMILESCCCCCCCCCCCCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C19H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-20(2)19(26)18(25)17(24)16(23)15(22)14-21/h15-18,21-25H,3-14H2,1-2H3/t15-,16-,17+,18-/m1/s1
InChIKeyWRBSFINFCKCUDF-ZJPYXAASSA-N
XLogP0.80
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide (CID 15143244) is (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide is CCCCCCCCCCCCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide?
The InChIKey is WRBSFINFCKCUDF-ZJPYXAASSA-N. The full InChI is InChI=1S/C19H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-20(2)19(26)18(25)17(24)16(23)15(22)14-21/h15-18,21-25H,3-14H2,1-2H3/t15-,16-,17+,18-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide?
(2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide has a molecular weight of 377.52 g/mol, XLogP of 0.80, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-N-dodecyl-2,3,4,5,6-pentahydroxy-N-methylhexanamide is sourced from PubChem (CID 15143244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).