N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide

C10H21NO3 — CID 65109854

IUPACN-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-4-6-14-7-5-9(12)11-8-10(2,3)13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyQSWHUFGYDSJXFO-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds7

About N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide

N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide (PubChem CID 65109854) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
PubChem CID65109854
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-4-6-14-7-5-9(12)11-8-10(2,3)13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyQSWHUFGYDSJXFO-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
CID 134387196
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
CID 111484023
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide
CID 107847193

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide (CID 65109854) is N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide is CCCOCCC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide?
The InChIKey is QSWHUFGYDSJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-6-14-7-5-9(12)11-8-10(2,3)13/h13H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide?
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide has a molecular weight of 203.28 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide is sourced from PubChem (CID 65109854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).