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

C15H19NO3 — CID 60803704

IUPAC2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
SMILESCCOCC(=O)Nc1ccc(C)cc1C#CCCO
InChIInChI=1S/C15H19NO3/c1-3-19-11-15(18)16-14-8-7-12(2)10-13(14)6-4-5-9-17/h7-8,10,17H,3,5,9,11H2,1-2H3,(H,16,18)
InChIKeyBPTALYUSFOBBFJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds5

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

2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide (PubChem CID 60803704) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
PubChem CID60803704
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
SMILESCCOCC(=O)Nc1ccc(C)cc1C#CCCO
InChIInChI=1S/C15H19NO3/c1-3-19-11-15(18)16-14-8-7-12(2)10-13(14)6-4-5-9-17/h7-8,10,17H,3,5,9,11H2,1-2H3,(H,16,18)
InChIKeyBPTALYUSFOBBFJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
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-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-ethoxyacetamide
CID 81270719
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 55025099
1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 60815059
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopropanecarboxamide
CID 60804593
N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940347
ethyl N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]carbamate
CID 60813703
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 63079801
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922406
2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803360
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802849
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
CID 60804524

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide (CID 60803704) is 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide is CCOCC(=O)Nc1ccc(C)cc1C#CCCO.
What is the InChIKey of 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide?
The InChIKey is BPTALYUSFOBBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-19-11-15(18)16-14-8-7-12(2)10-13(14)6-4-5-9-17/h7-8,10,17H,3,5,9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide?
2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 60803704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).