N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide

C15H19NO3 — CID 107940347

IUPACN-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccccc1C#CCCO
InChIInChI=1S/C15H19NO3/c1-2-11-19-12-15(18)16-14-9-4-3-7-13(14)8-5-6-10-17/h3-4,7,9,17H,2,6,10-12H2,1H3,(H,16,18)
InChIKeyAAUKXWMLUFAKTK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide

N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide (PubChem CID 107940347) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
PubChem CID107940347
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccccc1C#CCCO
InChIInChI=1S/C15H19NO3/c1-2-11-19-12-15(18)16-14-9-4-3-7-13(14)8-5-6-10-17/h3-4,7,9,17H,2,6,10-12H2,1H3,(H,16,18)
InChIKeyAAUKXWMLUFAKTK-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 60803704
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940393
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-ethoxyacetamide
CID 81270719
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803176
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide (CID 107940347) is N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1ccccc1C#CCCO.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide?
The InChIKey is AAUKXWMLUFAKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-11-19-12-15(18)16-14-9-4-3-7-13(14)8-5-6-10-17/h3-4,7,9,17H,2,6,10-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide?
N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide is sourced from PubChem (CID 107940347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).