N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide

C15H19NO3 — CID 62590421

IUPACN-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(C#CCCO)c(C)c1
InChIInChI=1S/C15H19NO3/c1-12-11-14(16-15(18)8-10-19-2)7-6-13(12)5-3-4-9-17/h6-7,11,17H,4,8-10H2,1-2H3,(H,16,18)
InChIKeyHZUIQNJHURTJSE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds5

About N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide

N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide (PubChem CID 62590421) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide
PubChem CID62590421
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ccc(C#CCCO)c(C)c1
InChIInChI=1S/C15H19NO3/c1-12-11-14(16-15(18)8-10-19-2)7-6-13(12)5-3-4-9-17/h6-7,11,17H,4,8-10H2,1-2H3,(H,16,18)
InChIKeyHZUIQNJHURTJSE-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-[3-(4-hydroxybut-1-ynyl)phenyl]-3-methoxypropanamide
CID 62590238
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-propoxypropanamide
CID 62715474
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methylsulfanylpropanamide
CID 55201169
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
CID 60803467
1-butyl-3-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]urea
CID 60814559
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60804766
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 60805127
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
CID 104780644
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
N-ethyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzamide
CID 113396880

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide (CID 62590421) is N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide is COCCC(=O)Nc1ccc(C#CCCO)c(C)c1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide?
The InChIKey is HZUIQNJHURTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12-11-14(16-15(18)8-10-19-2)7-6-13(12)5-3-4-9-17/h6-7,11,17H,4,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide?
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide 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 N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide is sourced from PubChem (CID 62590421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).