(3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide

C13H27NO3 — CID 23577875

IUPAC(3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide
SMILESCC(C)CC[C@@H](O)[C@H](O)CC(=O)NCC(C)C
InChIInChI=1S/C13H27NO3/c1-9(2)5-6-11(15)12(16)7-13(17)14-8-10(3)4/h9-12,15-16H,5-8H2,1-4H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyZUEFSFCZQLWNPY-VXGBXAGGSA-N
MW245.36 g/mol
LogP1.31
Rot. Bonds8

About (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide

(3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide (PubChem CID 23577875) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide
PubChem CID23577875
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide
SMILESCC(C)CC[C@@H](O)[C@H](O)CC(=O)NCC(C)C
InChIInChI=1S/C13H27NO3/c1-9(2)5-6-11(15)12(16)7-13(17)14-8-10(3)4/h9-12,15-16H,5-8H2,1-4H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyZUEFSFCZQLWNPY-VXGBXAGGSA-N
XLogP1.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide?
The IUPAC name of (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide (CID 23577875) is (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide.
What is the SMILES notation for (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide?
The canonical SMILES for (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide is CC(C)CC[C@@H](O)[C@H](O)CC(=O)NCC(C)C.
What is the InChIKey of (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide?
The InChIKey is ZUEFSFCZQLWNPY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H27NO3/c1-9(2)5-6-11(15)12(16)7-13(17)14-8-10(3)4/h9-12,15-16H,5-8H2,1-4H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide?
(3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide has a molecular weight of 245.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxy-7-methyl-N-(2-methylpropyl)octanamide is sourced from PubChem (CID 23577875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).