3-methyl-N-(4-oxobutyl)butanamide;yttrium

C9H16NO2Y- — CID 140577553

IUPAC3-methyl-N-(4-oxobutyl)butanamide;yttrium
SMILESCC(C)CC(=O)NCCC[C-]=O.[Y]
InChIInChI=1S/C9H16NO2.Y/c1-8(2)7-9(12)10-5-3-4-6-11;/h8H,3-5,7H2,1-2H3,(H,10,12);/q-1;
InChIKeyZRCQMJLTPBYBQI-UHFFFAOYSA-N
MW259.14 g/mol
LogP1.04
Rot. Bonds6

About 3-methyl-N-(4-oxobutyl)butanamide;yttrium

3-methyl-N-(4-oxobutyl)butanamide;yttrium (PubChem CID 140577553) has the molecular formula C9H16NO2Y- and a molecular weight of 259.14 g/mol. Its IUPAC name is 3-methyl-N-(4-oxobutyl)butanamide;yttrium.

Molecular Properties

Compound Name3-methyl-N-(4-oxobutyl)butanamide;yttrium
PubChem CID140577553
Molecular FormulaC9H16NO2Y-
Molecular Weight259.14 g/mol
Exact Mass259.02
IUPAC Name3-methyl-N-(4-oxobutyl)butanamide;yttrium
SMILESCC(C)CC(=O)NCCC[C-]=O.[Y]
InChIInChI=1S/C9H16NO2.Y/c1-8(2)7-9(12)10-5-3-4-6-11;/h8H,3-5,7H2,1-2H3,(H,10,12);/q-1;
InChIKeyZRCQMJLTPBYBQI-UHFFFAOYSA-N
XLogP1.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
calcium 3-(3-methylbutanoylamino)propane-1-sulfonate
CID 21180951
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-oxobutyl)butanamide;yttrium?
The IUPAC name of 3-methyl-N-(4-oxobutyl)butanamide;yttrium (CID 140577553) is 3-methyl-N-(4-oxobutyl)butanamide;yttrium.
What is the SMILES notation for 3-methyl-N-(4-oxobutyl)butanamide;yttrium?
The canonical SMILES for 3-methyl-N-(4-oxobutyl)butanamide;yttrium is CC(C)CC(=O)NCCC[C-]=O.[Y].
What is the InChIKey of 3-methyl-N-(4-oxobutyl)butanamide;yttrium?
The InChIKey is ZRCQMJLTPBYBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2.Y/c1-8(2)7-9(12)10-5-3-4-6-11;/h8H,3-5,7H2,1-2H3,(H,10,12);/q-1;.
What are the key properties of 3-methyl-N-(4-oxobutyl)butanamide;yttrium?
3-methyl-N-(4-oxobutyl)butanamide;yttrium has a molecular weight of 259.14 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-oxobutyl)butanamide;yttrium is sourced from PubChem (CID 140577553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).