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

C17H21NO3 — CID 103557434

IUPACN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCc2ccccc2C#CCO)CCC1
InChIInChI=1S/C17H21NO3/c1-21-17(9-5-10-17)12-16(20)18-13-15-7-3-2-6-14(15)8-4-11-19/h2-3,6-7,19H,5,9-13H2,1H3,(H,18,20)
InChIKeyDLZXDHOSJOXJGS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.61
Rot. Bonds5

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

N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557434) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557434
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCc2ccccc2C#CCO)CCC1
InChIInChI=1S/C17H21NO3/c1-21-17(9-5-10-17)12-16(20)18-13-15-7-3-2-6-14(15)8-4-11-19/h2-3,6-7,19H,5,9-13H2,1H3,(H,18,20)
InChIKeyDLZXDHOSJOXJGS-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.61
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

2-cyclopropyl-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]acetamide
CID 55031761
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557419
N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 107233900
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209891
N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103520088
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxythiophene-2-carboxamide
CID 81121475
N-(3-amino-3-phenylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557357
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557462
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
CID 54966873
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 65215157

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide (CID 103557434) is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCc2ccccc2C#CCO)CCC1.
What is the InChIKey of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is DLZXDHOSJOXJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-17(9-5-10-17)12-16(20)18-13-15-7-3-2-6-14(15)8-4-11-19/h2-3,6-7,19H,5,9-13H2,1H3,(H,18,20).
What are the key properties of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide?
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).