3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide

C18H32N4O5 — CID 143678940

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide
SMILESCC(C)(CCO)C(=O)NN.CC(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O3.C6H14N2O2/c1-9(2)5-7-13-10(15)6-8-14-11(16)3-4-12(14)17;1-6(2,3-4-9)5(10)8-7/h3-4,9H,5-8H2,1-2H3,(H,13,15);9H,3-4,7H2,1-2H3,(H,8,10)
InChIKeyBLZLMOHISLHZKY-UHFFFAOYSA-N
MW384.48 g/mol
LogP-0.15
Rot. Bonds9

About 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide

3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide (PubChem CID 143678940) has the molecular formula C18H32N4O5 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide
PubChem CID143678940
Molecular FormulaC18H32N4O5
Molecular Weight384.48 g/mol
Exact Mass384.24
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide
SMILESCC(C)(CCO)C(=O)NN.CC(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O3.C6H14N2O2/c1-9(2)5-7-13-10(15)6-8-14-11(16)3-4-12(14)17;1-6(2,3-4-9)5(10)8-7/h3-4,9H,5-8H2,1-2H3,(H,13,15);9H,3-4,7H2,1-2H3,(H,8,10)
InChIKeyBLZLMOHISLHZKY-UHFFFAOYSA-N
XLogP-0.15
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
3-(2-cyclopropylidene-5-oxopyrrol-1-yl)-N-(8-hydroxyoctyl)propanamide;3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;ethane;3-methylbutane-1,3-diol
CID 176561314
N-(3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118446686
N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide
CID 176989879
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108
4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide
CID 144656184
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-propylhexanamide
CID 70965533
4-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butan-2-yloxy]-N-[1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,2-dimethylbutanamide
CID 170595740
acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
CID 91395797
3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide
CID 135303547
N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 146490463

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide (CID 143678940) is 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide is CC(C)(CCO)C(=O)NN.CC(C)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide?
The InChIKey is BLZLMOHISLHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.C6H14N2O2/c1-9(2)5-7-13-10(15)6-8-14-11(16)3-4-12(14)17;1-6(2,3-4-9)5(10)8-7/h3-4,9H,5-8H2,1-2H3,(H,13,15);9H,3-4,7H2,1-2H3,(H,8,10).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide?
3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide has a molecular weight of 384.48 g/mol, XLogP of -0.15, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide is sourced from PubChem (CID 143678940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).