(3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide

C9H17NO3 — CID 57191637

IUPAC(3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide
SMILESCC(C)C[C@@H](C=O)C(C)C(=O)NO
InChIInChI=1S/C9H17NO3/c1-6(2)4-8(5-11)7(3)9(12)10-13/h5-8,13H,4H2,1-3H3,(H,10,12)/t7?,8-/m0/s1
InChIKeyOUCSOYBZJGAKAY-MQWKRIRWSA-N
MW187.24 g/mol
LogP0.99
Rot. Bonds5

About (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide

(3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide (PubChem CID 57191637) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide.

Molecular Properties

Compound Name(3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide
PubChem CID57191637
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide
SMILESCC(C)C[C@@H](C=O)C(C)C(=O)NO
InChIInChI=1S/C9H17NO3/c1-6(2)4-8(5-11)7(3)9(12)10-13/h5-8,13H,4H2,1-3H3,(H,10,12)/t7?,8-/m0/s1
InChIKeyOUCSOYBZJGAKAY-MQWKRIRWSA-N
XLogP0.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide?
The IUPAC name of (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide (CID 57191637) is (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide.
What is the SMILES notation for (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide?
The canonical SMILES for (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide is CC(C)C[C@@H](C=O)C(C)C(=O)NO.
What is the InChIKey of (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide?
The InChIKey is OUCSOYBZJGAKAY-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)4-8(5-11)7(3)9(12)10-13/h5-8,13H,4H2,1-3H3,(H,10,12)/t7?,8-/m0/s1.
What are the key properties of (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide?
(3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide has a molecular weight of 187.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide is sourced from PubChem (CID 57191637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).