N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide

C16H19NO3 — CID 103557419

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(C#CCO)cc2)CCC1
InChIInChI=1S/C16H19NO3/c1-20-16(9-3-10-16)12-15(19)17-14-7-5-13(6-8-14)4-2-11-18/h5-8,18H,3,9-12H2,1H3,(H,17,19)
InChIKeyDIJXBGGKZBUDOH-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.93
Rot. Bonds4

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557419) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557419
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(C#CCO)cc2)CCC1
InChIInChI=1S/C16H19NO3/c1-20-16(9-3-10-16)12-15(19)17-14-7-5-13(6-8-14)4-2-11-18/h5-8,18H,3,9-12H2,1H3,(H,17,19)
InChIKeyDIJXBGGKZBUDOH-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.93
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-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557434
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522079
N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557015
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 60803615
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 119048273
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557462
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 103520061

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide (CID 103557419) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2ccc(C#CCO)cc2)CCC1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is DIJXBGGKZBUDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-16(9-3-10-16)12-15(19)17-14-7-5-13(6-8-14)4-2-11-18/h5-8,18H,3,9-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).