N-hydroxypropanamide;N-methylbutanamide

C8H18N2O3 — CID 158403694

IUPACN-hydroxypropanamide;N-methylbutanamide
SMILESCCC(=O)NO.CCCC(=O)NC
InChIInChI=1S/C5H11NO.C3H7NO2/c1-3-4-5(7)6-2;1-2-3(5)4-6/h3-4H2,1-2H3,(H,6,7);6H,2H2,1H3,(H,4,5)
InChIKeyGYKKQOKHRDSVBH-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.43
Rot. Bonds3

About N-hydroxypropanamide;N-methylbutanamide

N-hydroxypropanamide;N-methylbutanamide (PubChem CID 158403694) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-hydroxypropanamide;N-methylbutanamide.

Molecular Properties

Compound NameN-hydroxypropanamide;N-methylbutanamide
PubChem CID158403694
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-hydroxypropanamide;N-methylbutanamide
SMILESCCC(=O)NO.CCCC(=O)NC
InChIInChI=1S/C5H11NO.C3H7NO2/c1-3-4-5(7)6-2;1-2-3(5)4-6/h3-4H2,1-2H3,(H,6,7);6H,2H2,1H3,(H,4,5)
InChIKeyGYKKQOKHRDSVBH-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methylpropanamide;propane
CID 91316585
CID 160664038
CID 160664038
N-methylheptacosanamide
CID 18175889
N-(methylcarbamoyl)butanamide
CID 12936929
N-methylundecanamide
CID 23297450
N-methylnonadecanamide
CID 2724821
N-ethylmethanesulfonamide;N-methylbutanamide;N-methylhexanamide;N-methylpentanamide;N-methylpropanamide
CID 54559321
ethane;N-methyltetradecanamide
CID 153349961
2,2-dimethylpropane;N-methylbutanamide;methyl butanoate;propane;propyl butanoate
CID 157113031
N,N'-dimethylheptanediamide
CID 15166696
N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
CID 176888939
3-(dipropylamino)-N-methylpropanamide
CID 90814262

Frequently Asked Questions

What is the IUPAC name of N-hydroxypropanamide;N-methylbutanamide?
The IUPAC name of N-hydroxypropanamide;N-methylbutanamide (CID 158403694) is N-hydroxypropanamide;N-methylbutanamide.
What is the SMILES notation for N-hydroxypropanamide;N-methylbutanamide?
The canonical SMILES for N-hydroxypropanamide;N-methylbutanamide is CCC(=O)NO.CCCC(=O)NC.
What is the InChIKey of N-hydroxypropanamide;N-methylbutanamide?
The InChIKey is GYKKQOKHRDSVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H7NO2/c1-3-4-5(7)6-2;1-2-3(5)4-6/h3-4H2,1-2H3,(H,6,7);6H,2H2,1H3,(H,4,5).
What are the key properties of N-hydroxypropanamide;N-methylbutanamide?
N-hydroxypropanamide;N-methylbutanamide has a molecular weight of 190.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxypropanamide;N-methylbutanamide is sourced from PubChem (CID 158403694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).