3-ethoxy-N-(3-oxobutyl)propanamide;vanadium

C9H16NO3V- — CID 171817114

IUPAC3-ethoxy-N-(3-oxobutyl)propanamide;vanadium
SMILES[CH2-]COCCC(=O)NCCC(C)=O.[V]
InChIInChI=1S/C9H16NO3.V/c1-3-13-7-5-9(12)10-6-4-8(2)11;/h1,3-7H2,2H3,(H,10,12);/q-1;
InChIKeyXQYBRKNEPNWDJB-UHFFFAOYSA-N
MW237.17 g/mol
LogP0.32
Rot. Bonds7

About 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium

3-ethoxy-N-(3-oxobutyl)propanamide;vanadium (PubChem CID 171817114) has the molecular formula C9H16NO3V- and a molecular weight of 237.17 g/mol. Its IUPAC name is 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium.

Molecular Properties

Compound Name3-ethoxy-N-(3-oxobutyl)propanamide;vanadium
PubChem CID171817114
Molecular FormulaC9H16NO3V-
Molecular Weight237.17 g/mol
Exact Mass237.06
IUPAC Name3-ethoxy-N-(3-oxobutyl)propanamide;vanadium
SMILES[CH2-]COCCC(=O)NCCC(C)=O.[V]
InChIInChI=1S/C9H16NO3.V/c1-3-13-7-5-9(12)10-6-4-8(2)11;/h1,3-7H2,2H3,(H,10,12);/q-1;
InChIKeyXQYBRKNEPNWDJB-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten
CID 168962154
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten
CID 156649542
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
ethane;3-propoxy-N-propylpropanamide
CID 163269237

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium?
The IUPAC name of 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium (CID 171817114) is 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium.
What is the SMILES notation for 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium?
The canonical SMILES for 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium is [CH2-]COCCC(=O)NCCC(C)=O.[V].
What is the InChIKey of 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium?
The InChIKey is XQYBRKNEPNWDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO3.V/c1-3-13-7-5-9(12)10-6-4-8(2)11;/h1,3-7H2,2H3,(H,10,12);/q-1;.
What are the key properties of 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium?
3-ethoxy-N-(3-oxobutyl)propanamide;vanadium has a molecular weight of 237.17 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-oxobutyl)propanamide;vanadium is sourced from PubChem (CID 171817114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).