N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide

C9H20N2O2 — CID 106842052

IUPACN-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCCCCO
InChIInChI=1S/C9H20N2O2/c1-9(2,10-3)8(13)11-6-4-5-7-12/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyGTADXFNTJCPHOP-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds6

About N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide

N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 106842052) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
PubChem CID106842052
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCCCCO
InChIInChI=1S/C9H20N2O2/c1-9(2,10-3)8(13)11-6-4-5-7-12/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyGTADXFNTJCPHOP-UHFFFAOYSA-N
XLogP-0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 62846365
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737
N-(2-fluoroethyl)-2-methyl-2-(methylamino)propanamide
CID 130504047
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 103919391
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
2-methyl-2-(methylamino)-N-[3-(N-methylanilino)propyl]propanamide
CID 62834119
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide (CID 106842052) is N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is GTADXFNTJCPHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,10-3)8(13)11-6-4-5-7-12/h10,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide?
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 188.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 106842052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).