N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide

C8H18N2O3 — CID 22956478

IUPACN-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)NCC(O)COC
InChIInChI=1S/C8H18N2O3/c1-9-4-3-8(12)10-5-7(11)6-13-2/h7,9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyAFYBPDOGQSUMDK-UHFFFAOYSA-N
MW190.24 g/mol
LogP-1.28
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide

N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide (PubChem CID 22956478) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide
PubChem CID22956478
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)NCC(O)COC
InChIInChI=1S/C8H18N2O3/c1-9-4-3-8(12)10-5-7(11)6-13-2/h7,9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyAFYBPDOGQSUMDK-UHFFFAOYSA-N
XLogP-1.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamidoethyl PG-trimonium chloride
CID 72941718
[3-(2-Acetamidoethoxy)-2-hydroxypropyl]-trimethylazanium
CID 72941719
2-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-methylpropanamide
CID 109928299
N-(4-acetamido-2,3-dihydroxybutyl)acetamide
CID 4485754
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
N,N'-bis[2-(2-hydroxyethoxy)ethyl]propanediamide
CID 20722252
3-Acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
CID 21040770
N'-(2-hydroxypropyl)propanediamide
CID 21081580
3-amino-N-(2-hydroxypropyl)propanamide
CID 43500099
N-(2-hydroxy-3-methoxypropyl)acetamide
CID 54091117
N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide
CID 54223303
N-hydroxyethyl-beta-dipropylaminopropionamide
CID 54257674

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide (CID 22956478) is N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide is CNCCC(=O)NCC(O)COC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide?
The InChIKey is AFYBPDOGQSUMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-9-4-3-8(12)10-5-7(11)6-13-2/h7,9,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide?
N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide has a molecular weight of 190.24 g/mol, XLogP of -1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-3-(methylamino)propanamide is sourced from PubChem (CID 22956478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).