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

C9H19NO5 — CID 107939705

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H19NO5/c1-2-3-15-4-8(14)10-9(5-11,6-12)7-13/h11-13H,2-7H2,1H3,(H,10,14)
InChIKeyGHARXUULTJJCFP-UHFFFAOYSA-N
MW221.25 g/mol
LogP-1.76
Rot. Bonds8

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

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide (PubChem CID 107939705) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide
PubChem CID107939705
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H19NO5/c1-2-3-15-4-8(14)10-9(5-11,6-12)7-13/h11-13H,2-7H2,1H3,(H,10,14)
InChIKeyGHARXUULTJJCFP-UHFFFAOYSA-N
XLogP-1.76
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide (CID 107939705) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide is CCCOCC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide?
The InChIKey is GHARXUULTJJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-2-3-15-4-8(14)10-9(5-11,6-12)7-13/h11-13H,2-7H2,1H3,(H,10,14).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propoxyacetamide has a molecular weight of 221.25 g/mol, XLogP of -1.76, 8 rotatable bonds, 4 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]-2-propoxyacetamide is sourced from PubChem (CID 107939705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).