N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide

C8H18N2O4 — CID 156682182

IUPACN-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide
SMILESCOCN(CNC(C)=O)CC(O)CO
InChIInChI=1S/C8H18N2O4/c1-7(12)9-5-10(6-14-2)3-8(13)4-11/h8,11,13H,3-6H2,1-2H3,(H,9,12)
InChIKeySWMMWYJWIIMBIS-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.66
Rot. Bonds7

About N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide

N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide (PubChem CID 156682182) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide
PubChem CID156682182
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC NameN-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide
SMILESCOCN(CNC(C)=O)CC(O)CO
InChIInChI=1S/C8H18N2O4/c1-7(12)9-5-10(6-14-2)3-8(13)4-11/h8,11,13H,3-6H2,1-2H3,(H,9,12)
InChIKeySWMMWYJWIIMBIS-UHFFFAOYSA-N
XLogP-1.66
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[1-(2,3-Dihydroxypropylamino)propyl-methylamino]propylamino]propane-1,2-diol
CID 19347617
3-[[(2,3-Dihydroxypropylamino)methyl-methylamino]methylamino]propane-1,2-diol
CID 19347621
N-(2-hydroxybutyl)-N-[(2-hydroxypropylamino)methyl]acetamide
CID 21363030
N-[1-(2,3-dihydroxypropylamino)ethyl]-2-methylpropanamide
CID 23046097
Acetamidomethyl-(2-hydroxybutyl)-dimethylazanium
CID 53678824
3-(2-Hydroxypropyl)-1,1-bis(3-hydroxypropyl)urea
CID 53966517
N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide
CID 59095166
N-[[bis(2-hydroxypropyl)amino]methyl]acetamide
CID 59360323
N-[[bis(2-hydroxybutyl)amino]methyl]acetamide
CID 59360325
Urea, N,N'-bis(2,3-dihydroxypropyl)-
CID 71428979
1,1-Bis(2-hydroxypropyl)-3-(3-hydroxypropyl)urea
CID 85796120
1,1,3-Tris(2,3-dihydroxypropyl)urea
CID 141606063

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide?
The IUPAC name of N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide (CID 156682182) is N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide.
What is the SMILES notation for N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide?
The canonical SMILES for N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide is COCN(CNC(C)=O)CC(O)CO.
What is the InChIKey of N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide?
The InChIKey is SWMMWYJWIIMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-7(12)9-5-10(6-14-2)3-8(13)4-11/h8,11,13H,3-6H2,1-2H3,(H,9,12).
What are the key properties of N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide?
N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide has a molecular weight of 206.24 g/mol, XLogP of -1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide is sourced from PubChem (CID 156682182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).