N-benzyl-N-(1-hydroxyethyl)acetamide

C11H15NO2 — CID 54542101

IUPACN-benzyl-N-(1-hydroxyethyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)C(C)O
InChIInChI=1S/C11H15NO2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3
InChIKeyQMHFWDULURZUSR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.37
Rot. Bonds3

About N-benzyl-N-(1-hydroxyethyl)acetamide

N-benzyl-N-(1-hydroxyethyl)acetamide (PubChem CID 54542101) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-benzyl-N-(1-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-hydroxyethyl)acetamide
PubChem CID54542101
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-benzyl-N-(1-hydroxyethyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)C(C)O
InChIInChI=1S/C11H15NO2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3
InChIKeyQMHFWDULURZUSR-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-(1-hydroxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
N-benzyl-N-[(2R,3R)-4-bromo-1,1,1-trifluoro-3-hydroxybutan-2-yl]acetamide
CID 11291164

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-hydroxyethyl)acetamide?
The IUPAC name of N-benzyl-N-(1-hydroxyethyl)acetamide (CID 54542101) is N-benzyl-N-(1-hydroxyethyl)acetamide.
What is the SMILES notation for N-benzyl-N-(1-hydroxyethyl)acetamide?
The canonical SMILES for N-benzyl-N-(1-hydroxyethyl)acetamide is CC(=O)N(Cc1ccccc1)C(C)O.
What is the InChIKey of N-benzyl-N-(1-hydroxyethyl)acetamide?
The InChIKey is QMHFWDULURZUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3.
What are the key properties of N-benzyl-N-(1-hydroxyethyl)acetamide?
N-benzyl-N-(1-hydroxyethyl)acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-hydroxyethyl)acetamide is sourced from PubChem (CID 54542101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).