2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide

C14H17NO3 — CID 60803360

IUPAC2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCCOCC(=O)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C14H17NO3/c1-2-18-11-14(17)15-13-8-5-7-12(10-13)6-3-4-9-16/h5,7-8,10,16H,2,4,9,11H2,1H3,(H,15,17)
InChIKeyRCPUFUMUBMXUMK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.40
Rot. Bonds5

About 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide

2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide (PubChem CID 60803360) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
PubChem CID60803360
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCCOCC(=O)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C14H17NO3/c1-2-18-11-14(17)15-13-8-5-7-12(10-13)6-3-4-9-16/h5,7-8,10,16H,2,4,9,11H2,1H3,(H,15,17)
InChIKeyRCPUFUMUBMXUMK-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60804224
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
N-[3-(4-hydroxybut-1-ynyl)phenyl]-3-methoxypropanamide
CID 62590238
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021832
3-[3-(4-hydroxybut-1-ynyl)phenyl]-1,1-dimethylurea
CID 79154315
1-tert-butyl-3-[3-(4-hydroxybut-1-ynyl)phenyl]urea
CID 60814393
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-ethoxypropanamide
CID 62588428
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
phenyl N-[3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 60813714
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
CID 60803359
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide (CID 60803360) is 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide is CCOCC(=O)Nc1cccc(C#CCCO)c1.
What is the InChIKey of 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The InChIKey is RCPUFUMUBMXUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-11-14(17)15-13-8-5-7-12(10-13)6-3-4-9-16/h5,7-8,10,16H,2,4,9,11H2,1H3,(H,15,17).
What are the key properties of 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide?
2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide has a molecular weight of 247.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 60803360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).