N-(2,3-dihydroxypropyl)-2-propoxyacetamide

C8H17NO4 — CID 107939672

IUPACN-(2,3-dihydroxypropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(O)CO
InChIInChI=1S/C8H17NO4/c1-2-3-13-6-8(12)9-4-7(11)5-10/h7,10-11H,2-6H2,1H3,(H,9,12)
InChIKeyRWDQCGAPLMGXCX-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.12
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-2-propoxyacetamide

N-(2,3-dihydroxypropyl)-2-propoxyacetamide (PubChem CID 107939672) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-propoxyacetamide
PubChem CID107939672
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC NameN-(2,3-dihydroxypropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(O)CO
InChIInChI=1S/C8H17NO4/c1-2-3-13-6-8(12)9-4-7(11)5-10/h7,10-11H,2-6H2,1H3,(H,9,12)
InChIKeyRWDQCGAPLMGXCX-UHFFFAOYSA-N
XLogP-1.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide
CID 103771921
N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide
CID 126836522
N-[2-(methylamino)propyl]-2-propoxyacetamide
CID 107938536
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(3-hydroxypentyl)-2-propoxyacetamide
CID 103774767
N,N'-bis[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl]butanediamide;ethane
CID 171850537
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-propoxyacetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-propoxyacetamide (CID 107939672) is N-(2,3-dihydroxypropyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-propoxyacetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-propoxyacetamide is CCCOCC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-propoxyacetamide?
The InChIKey is RWDQCGAPLMGXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-3-13-6-8(12)9-4-7(11)5-10/h7,10-11H,2-6H2,1H3,(H,9,12).
What are the key properties of N-(2,3-dihydroxypropyl)-2-propoxyacetamide?
N-(2,3-dihydroxypropyl)-2-propoxyacetamide has a molecular weight of 191.23 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-propoxyacetamide is sourced from PubChem (CID 107939672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).