(2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide

C10H17NO3 — CID 129405512

IUPAC(2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide
SMILESCCC(=O)C(CCC=O)C(=O)N(C)C
InChIInChI=1S/C10H17NO3/c1-4-9(13)8(6-5-7-12)10(14)11(2)3/h7-8H,4-6H2,1-3H3
InChIKeyRYDJHIBQHDRHTP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.65
Rot. Bonds6

About (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide

(2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide (PubChem CID 129405512) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide
PubChem CID129405512
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide
SMILESCCC(=O)C(CCC=O)C(=O)N(C)C
InChIInChI=1S/C10H17NO3/c1-4-9(13)8(6-5-7-12)10(14)11(2)3/h7-8H,4-6H2,1-3H3
InChIKeyRYDJHIBQHDRHTP-UHFFFAOYSA-N
XLogP0.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide?
The IUPAC name of (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide (CID 129405512) is (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide?
The canonical SMILES for (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide is CCC(=O)C(CCC=O)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide?
The InChIKey is RYDJHIBQHDRHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-9(13)8(6-5-7-12)10(14)11(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide?
(2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide has a molecular weight of 199.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-3-oxo-2-(3-oxopropyl)pentanamide is sourced from PubChem (CID 129405512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).