4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide

C12H23NO4 — CID 58391346

IUPAC4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide
SMILESCCCOCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C12H23NO4/c1-3-7-16-9-10-17-8-6-13-12(15)5-4-11(2)14/h3-10H2,1-2H3,(H,13,15)
InChIKeyMEZLPQJRTWTGQU-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.92
Rot. Bonds11

About 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide

4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide (PubChem CID 58391346) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide
PubChem CID58391346
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide
SMILESCCCOCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C12H23NO4/c1-3-7-16-9-10-17-8-6-13-12(15)5-4-11(2)14/h3-10H2,1-2H3,(H,13,15)
InChIKeyMEZLPQJRTWTGQU-UHFFFAOYSA-N
XLogP0.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 171557105
CID 171557105
CID 71343465
CID 71343465
CID 121012640
CID 121012640
CID 103082338
CID 103082338
CID 171065096
CID 171065096
CID 4162939
CID 4162939
CID 20686584
CID 20686584
CID 20721382
CID 20721382
CID 21339759
CID 21339759
CID 22982042
CID 22982042
CID 51340897
CID 51340897
CID 53883727
CID 53883727

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide?
The IUPAC name of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide (CID 58391346) is 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide.
What is the SMILES notation for 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide?
The canonical SMILES for 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide is CCCOCCOCCNC(=O)CCC(C)=O.
What is the InChIKey of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide?
The InChIKey is MEZLPQJRTWTGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-7-16-9-10-17-8-6-13-12(15)5-4-11(2)14/h3-10H2,1-2H3,(H,13,15).
What are the key properties of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide?
4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide has a molecular weight of 245.32 g/mol, XLogP of 0.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-(2-propoxyethoxy)ethyl]pentanamide is sourced from PubChem (CID 58391346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).