(2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide

C20H37NO5 — CID 162010527

IUPAC(2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide
SMILESCCCCCCC(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C(CO)CO
InChIInChI=1S/C20H37NO5/c1-5-6-7-8-9-17(24)11-15(4)20(26)21-18(10-14(2)3)19(25)16(12-22)13-23/h14-16,18,22-23H,5-13H2,1-4H3,(H,21,26)/t15-,18+/m1/s1
InChIKeyXBONRSUROVGFTM-QAPCUYQASA-N
MW371.52 g/mol
LogP2.25
Rot. Bonds15

About (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide

(2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide (PubChem CID 162010527) has the molecular formula C20H37NO5 and a molecular weight of 371.52 g/mol. Its IUPAC name is (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide.

Molecular Properties

Compound Name(2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide
PubChem CID162010527
Molecular FormulaC20H37NO5
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Name(2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide
SMILESCCCCCCC(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C(CO)CO
InChIInChI=1S/C20H37NO5/c1-5-6-7-8-9-17(24)11-15(4)20(26)21-18(10-14(2)3)19(25)16(12-22)13-23/h14-16,18,22-23H,5-13H2,1-4H3,(H,21,26)/t15-,18+/m1/s1
InChIKeyXBONRSUROVGFTM-QAPCUYQASA-N
XLogP2.25
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide?
The IUPAC name of (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide (CID 162010527) is (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide.
What is the SMILES notation for (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide?
The canonical SMILES for (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide is CCCCCCC(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C(CO)CO.
What is the InChIKey of (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide?
The InChIKey is XBONRSUROVGFTM-QAPCUYQASA-N. The full InChI is InChI=1S/C20H37NO5/c1-5-6-7-8-9-17(24)11-15(4)20(26)21-18(10-14(2)3)19(25)16(12-22)13-23/h14-16,18,22-23H,5-13H2,1-4H3,(H,21,26)/t15-,18+/m1/s1.
What are the key properties of (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide?
(2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide has a molecular weight of 371.52 g/mol, XLogP of 2.25, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4S)-1-hydroxy-2-(hydroxymethyl)-6-methyl-3-oxoheptan-4-yl]-2-methyl-4-oxodecanamide is sourced from PubChem (CID 162010527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).