N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide

C12H19NO3 — CID 101175013

IUPACN,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide
SMILESCCN(CC)C(=O)C(=O)CC1CCCC1=O
InChIInChI=1S/C12H19NO3/c1-3-13(4-2)12(16)11(15)8-9-6-5-7-10(9)14/h9H,3-8H2,1-2H3
InChIKeyJZFJKTJEIUZTFM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds5

About N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide

N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide (PubChem CID 101175013) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide
PubChem CID101175013
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide
SMILESCCN(CC)C(=O)C(=O)CC1CCCC1=O
InChIInChI=1S/C12H19NO3/c1-3-13(4-2)12(16)11(15)8-9-6-5-7-10(9)14/h9H,3-8H2,1-2H3
InChIKeyJZFJKTJEIUZTFM-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide?
The IUPAC name of N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide (CID 101175013) is N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide.
What is the SMILES notation for N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide?
The canonical SMILES for N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide is CCN(CC)C(=O)C(=O)CC1CCCC1=O.
What is the InChIKey of N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide?
The InChIKey is JZFJKTJEIUZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-13(4-2)12(16)11(15)8-9-6-5-7-10(9)14/h9H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide?
N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide has a molecular weight of 225.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-3-(2-oxocyclopentyl)propanamide is sourced from PubChem (CID 101175013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).