N-ethoxy-4-hydroxybutanamide

C6H13NO3 — CID 79191598

IUPACN-ethoxy-4-hydroxybutanamide
SMILESCCONC(=O)CCCO
InChIInChI=1S/C6H13NO3/c1-2-10-7-6(9)4-3-5-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyRXDXEIDREVXWSG-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.17
Rot. Bonds5

About N-ethoxy-4-hydroxybutanamide

N-ethoxy-4-hydroxybutanamide (PubChem CID 79191598) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-ethoxy-4-hydroxybutanamide.

Molecular Properties

Compound NameN-ethoxy-4-hydroxybutanamide
PubChem CID79191598
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-ethoxy-4-hydroxybutanamide
SMILESCCONC(=O)CCCO
InChIInChI=1S/C6H13NO3/c1-2-10-7-6(9)4-3-5-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyRXDXEIDREVXWSG-UHFFFAOYSA-N
XLogP-0.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-4-(methylamino)butanamide
CID 64974589
6-acetamido-N-ethoxyhexanamide
CID 60717872
N-tert-butyl-4-hydroxybutanamide
CID 11829724
N-ethoxy-4-phenylsulfanylbutanamide
CID 60717776
N-propoxyoctanamide
CID 174987362
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
N-ethoxy-2-methylpropanamide
CID 60717901
N-ethoxy-2-oxoacetamide
CID 19818586
N-ethoxy-3-hydroxy-3-methylbutanamide
CID 131222912
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-hydroxybutanamide?
The IUPAC name of N-ethoxy-4-hydroxybutanamide (CID 79191598) is N-ethoxy-4-hydroxybutanamide.
What is the SMILES notation for N-ethoxy-4-hydroxybutanamide?
The canonical SMILES for N-ethoxy-4-hydroxybutanamide is CCONC(=O)CCCO.
What is the InChIKey of N-ethoxy-4-hydroxybutanamide?
The InChIKey is RXDXEIDREVXWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-10-7-6(9)4-3-5-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-ethoxy-4-hydroxybutanamide?
N-ethoxy-4-hydroxybutanamide has a molecular weight of 147.17 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-hydroxybutanamide is sourced from PubChem (CID 79191598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).