N-(1-hydroxyethyl)acetamide

C4H9NO2 — CID 19967814

IUPACN-(1-hydroxyethyl)acetamide
SMILESCC(=O)NC(C)O
InChIInChI=1S/C4H9NO2/c1-3(6)5-4(2)7/h3,6H,1-2H3,(H,5,7)
InChIKeyKOWHWGGCIXBOKF-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.54
Rot. Bonds1

About N-(1-hydroxyethyl)acetamide

N-(1-hydroxyethyl)acetamide (PubChem CID 19967814) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is N-(1-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)acetamide
PubChem CID19967814
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC NameN-(1-hydroxyethyl)acetamide
SMILESCC(=O)NC(C)O
InChIInChI=1S/C4H9NO2/c1-3(6)5-4(2)7/h3,6H,1-2H3,(H,5,7)
InChIKeyKOWHWGGCIXBOKF-UHFFFAOYSA-N
XLogP-0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)acetamide?
The IUPAC name of N-(1-hydroxyethyl)acetamide (CID 19967814) is N-(1-hydroxyethyl)acetamide.
What is the SMILES notation for N-(1-hydroxyethyl)acetamide?
The canonical SMILES for N-(1-hydroxyethyl)acetamide is CC(=O)NC(C)O.
What is the InChIKey of N-(1-hydroxyethyl)acetamide?
The InChIKey is KOWHWGGCIXBOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(6)5-4(2)7/h3,6H,1-2H3,(H,5,7).
What are the key properties of N-(1-hydroxyethyl)acetamide?
N-(1-hydroxyethyl)acetamide has a molecular weight of 103.12 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)acetamide is sourced from PubChem (CID 19967814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).