3-hydroxy-4-propoxybutanamide

C7H15NO3 — CID 169324241

IUPAC3-hydroxy-4-propoxybutanamide
SMILESCCCOCC(O)CC(N)=O
InChIInChI=1S/C7H15NO3/c1-2-3-11-5-6(9)4-7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyNOTNCSQVQAJPJR-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.35
Rot. Bonds6

About 3-hydroxy-4-propoxybutanamide

3-hydroxy-4-propoxybutanamide (PubChem CID 169324241) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-hydroxy-4-propoxybutanamide.

Molecular Properties

Compound Name3-hydroxy-4-propoxybutanamide
PubChem CID169324241
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-hydroxy-4-propoxybutanamide
SMILESCCCOCC(O)CC(N)=O
InChIInChI=1S/C7H15NO3/c1-2-3-11-5-6(9)4-7(8)10/h6,9H,2-5H2,1H3,(H2,8,10)
InChIKeyNOTNCSQVQAJPJR-UHFFFAOYSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.35
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

(2-hydroxy-4-propoxybutyl) acetate
CID 121280529
3-hydroxypentanamide;hydrochloride
CID 174591125
3-(2-propoxyethylamino)butanamide
CID 106452583
3-(2-hydroxy-3-methoxypropoxy)propanamide
CID 172515689
1-propoxy-3-sulfanylpropan-2-ol
CID 21487431
methyl 3-propoxy-2-(propoxymethyl)propanoate
CID 176614670
propyl 2-methyl-3-propoxypropanoate
CID 54511577
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
1-hydroxy-3-(2-hydroxy-3-propoxypropoxy)propan-2-one
CID 123606617
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750
ethyl acetate;methanol;1-propoxypropane
CID 175234331
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propoxybutanamide?
The IUPAC name of 3-hydroxy-4-propoxybutanamide (CID 169324241) is 3-hydroxy-4-propoxybutanamide.
What is the SMILES notation for 3-hydroxy-4-propoxybutanamide?
The canonical SMILES for 3-hydroxy-4-propoxybutanamide is CCCOCC(O)CC(N)=O.
What is the InChIKey of 3-hydroxy-4-propoxybutanamide?
The InChIKey is NOTNCSQVQAJPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-11-5-6(9)4-7(8)10/h6,9H,2-5H2,1H3,(H2,8,10).
What are the key properties of 3-hydroxy-4-propoxybutanamide?
3-hydroxy-4-propoxybutanamide has a molecular weight of 161.20 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propoxybutanamide is sourced from PubChem (CID 169324241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).