N-methyl-N-(trihydroxymethyl)acetamide

C4H9NO4 — CID 19908717

IUPACN-methyl-N-(trihydroxymethyl)acetamide
SMILESCC(=O)N(C)C(O)(O)O
InChIInChI=1S/C4H9NO4/c1-3(6)5(2)4(7,8)9/h7-9H,1-2H3
InChIKeyBFXJSPABWAMZIM-UHFFFAOYSA-N
MW135.12 g/mol
LogP-1.95
Rot. Bonds1

About N-methyl-N-(trihydroxymethyl)acetamide

N-methyl-N-(trihydroxymethyl)acetamide (PubChem CID 19908717) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is N-methyl-N-(trihydroxymethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(trihydroxymethyl)acetamide
PubChem CID19908717
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC NameN-methyl-N-(trihydroxymethyl)acetamide
SMILESCC(=O)N(C)C(O)(O)O
InChIInChI=1S/C4H9NO4/c1-3(6)5(2)4(7,8)9/h7-9H,1-2H3
InChIKeyBFXJSPABWAMZIM-UHFFFAOYSA-N
XLogP-1.95
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[acetyl(methyl)amino]propan-2-yloxy]propan-2-yl]-N-methylacetamide
CID 139665194
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]acetamide
CID 118042375
azane;N,N-dimethylacetamide
CID 161145572
bis(N-[3-[acetyl(methyl)amino]-2,3-dimethylbutan-2-yl]-N-methylacetamide);bis(barium(2+));ethane;hydride;methanamine;methane
CID 159646967
N,N-dimethylacetamide;molecular iodine
CID 158534416
N,N-dimethylacetamide;formaldehyde
CID 54040691
lithium;N,N-dimethylacetamide;chloride
CID 87129072
potassium;N,N-dimethylacetamide;2-methylpropan-2-olate
CID 131726543
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
N',N'-bis[acetyl(methyl)amino]-N-methylacetohydrazide
CID 154092768
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trihydroxymethyl)acetamide?
The IUPAC name of N-methyl-N-(trihydroxymethyl)acetamide (CID 19908717) is N-methyl-N-(trihydroxymethyl)acetamide.
What is the SMILES notation for N-methyl-N-(trihydroxymethyl)acetamide?
The canonical SMILES for N-methyl-N-(trihydroxymethyl)acetamide is CC(=O)N(C)C(O)(O)O.
What is the InChIKey of N-methyl-N-(trihydroxymethyl)acetamide?
The InChIKey is BFXJSPABWAMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4/c1-3(6)5(2)4(7,8)9/h7-9H,1-2H3.
What are the key properties of N-methyl-N-(trihydroxymethyl)acetamide?
N-methyl-N-(trihydroxymethyl)acetamide has a molecular weight of 135.12 g/mol, XLogP of -1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trihydroxymethyl)acetamide is sourced from PubChem (CID 19908717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).