(2R,4S)-2-hydroxy-4-methyloctanamide

C9H19NO2 — CID 57183489

IUPAC(2R,4S)-2-hydroxy-4-methyloctanamide
SMILESCCCC[C@H](C)C[C@@H](O)C(N)=O
InChIInChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(11)9(10)12/h7-8,11H,3-6H2,1-2H3,(H2,10,12)/t7-,8+/m0/s1
InChIKeyMFIMUBXVQWJGAM-JGVFFNPUSA-N
MW173.26 g/mol
LogP1.05
Rot. Bonds6

About (2R,4S)-2-hydroxy-4-methyloctanamide

(2R,4S)-2-hydroxy-4-methyloctanamide (PubChem CID 57183489) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,4S)-2-hydroxy-4-methyloctanamide.

Molecular Properties

Compound Name(2R,4S)-2-hydroxy-4-methyloctanamide
PubChem CID57183489
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R,4S)-2-hydroxy-4-methyloctanamide
SMILESCCCC[C@H](C)C[C@@H](O)C(N)=O
InChIInChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(11)9(10)12/h7-8,11H,3-6H2,1-2H3,(H2,10,12)/t7-,8+/m0/s1
InChIKeyMFIMUBXVQWJGAM-JGVFFNPUSA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-hydroxy-4-methyloctanamide?
The IUPAC name of (2R,4S)-2-hydroxy-4-methyloctanamide (CID 57183489) is (2R,4S)-2-hydroxy-4-methyloctanamide.
What is the SMILES notation for (2R,4S)-2-hydroxy-4-methyloctanamide?
The canonical SMILES for (2R,4S)-2-hydroxy-4-methyloctanamide is CCCC[C@H](C)C[C@@H](O)C(N)=O.
What is the InChIKey of (2R,4S)-2-hydroxy-4-methyloctanamide?
The InChIKey is MFIMUBXVQWJGAM-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(11)9(10)12/h7-8,11H,3-6H2,1-2H3,(H2,10,12)/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-2-hydroxy-4-methyloctanamide?
(2R,4S)-2-hydroxy-4-methyloctanamide has a molecular weight of 173.26 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-hydroxy-4-methyloctanamide is sourced from PubChem (CID 57183489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).