(3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide

C8H15NO3 — CID 10583349

IUPAC(3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide
SMILESCON(C)C(=O)C[C@H](C)CC=O
InChIInChI=1S/C8H15NO3/c1-7(4-5-10)6-8(11)9(2)12-3/h5,7H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyVJWKZAJKQAIBSE-SSDOTTSWSA-N
MW173.21 g/mol
LogP0.62
Rot. Bonds5

About (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide

(3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide (PubChem CID 10583349) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide.

Molecular Properties

Compound Name(3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide
PubChem CID10583349
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide
SMILESCON(C)C(=O)C[C@H](C)CC=O
InChIInChI=1S/C8H15NO3/c1-7(4-5-10)6-8(11)9(2)12-3/h5,7H,4,6H2,1-3H3/t7-/m1/s1
InChIKeyVJWKZAJKQAIBSE-SSDOTTSWSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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)-N-methoxy-N,3-dimethyl-5-oxopentanamide?
The IUPAC name of (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide (CID 10583349) is (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide.
What is the SMILES notation for (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide?
The canonical SMILES for (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide is CON(C)C(=O)C[C@H](C)CC=O.
What is the InChIKey of (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide?
The InChIKey is VJWKZAJKQAIBSE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(4-5-10)6-8(11)9(2)12-3/h5,7H,4,6H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide?
(3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide has a molecular weight of 173.21 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide is sourced from PubChem (CID 10583349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).