N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide

C8H16N2O5 — CID 22900982

IUPACN'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide
SMILESCNC(=O)CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H16N2O5/c1-9-6(14)2-7(15)10-8(3-11,4-12)5-13/h11-13H,2-5H2,1H3,(H,9,14)(H,10,15)
InChIKeyFEPKIIPLIBZTEH-UHFFFAOYSA-N
MW220.22 g/mol
LogP-3.05
Rot. Bonds6

About N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide

N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide (PubChem CID 22900982) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide.

Molecular Properties

Compound NameN'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide
PubChem CID22900982
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC NameN'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide
SMILESCNC(=O)CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H16N2O5/c1-9-6(14)2-7(15)10-8(3-11,4-12)5-13/h11-13H,2-5H2,1H3,(H,9,14)(H,10,15)
InChIKeyFEPKIIPLIBZTEH-UHFFFAOYSA-N
XLogP-3.05
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-3.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide?
The IUPAC name of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide (CID 22900982) is N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide.
What is the SMILES notation for N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide?
The canonical SMILES for N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide is CNC(=O)CC(=O)NC(CO)(CO)CO.
What is the InChIKey of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide?
The InChIKey is FEPKIIPLIBZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-9-6(14)2-7(15)10-8(3-11,4-12)5-13/h11-13H,2-5H2,1H3,(H,9,14)(H,10,15).
What are the key properties of N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide?
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide has a molecular weight of 220.22 g/mol, XLogP of -3.05, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide is sourced from PubChem (CID 22900982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).