N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide

C16H19NO3 — CID 167985248

IUPACN-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C16H19NO3/c1-2-7-16(18)17-14-9-3-4-10-15(14)20-12-13-8-5-6-11-19-13/h3-4,9-10,13H,5-6,8,11-12H2,1H3,(H,17,18)
InChIKeyORAPOHMIUUQRTE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide

N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide (PubChem CID 167985248) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
PubChem CID167985248
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C16H19NO3/c1-2-7-16(18)17-14-9-3-4-10-15(14)20-12-13-8-5-6-11-19-13/h3-4,9-10,13H,5-6,8,11-12H2,1H3,(H,17,18)
InChIKeyORAPOHMIUUQRTE-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593
1-(5-methylhexan-2-yl)-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577047
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
(2S,5R)-5-(aminomethyl)-N-[2-(oxan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120789636

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide?
The IUPAC name of N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide (CID 167985248) is N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide.
What is the SMILES notation for N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide?
The canonical SMILES for N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide is CC#CC(=O)Nc1ccccc1OCC1CCCCO1.
What is the InChIKey of N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide?
The InChIKey is ORAPOHMIUUQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-7-16(18)17-14-9-3-4-10-15(14)20-12-13-8-5-6-11-19-13/h3-4,9-10,13H,5-6,8,11-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide?
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide has a molecular weight of 273.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide is sourced from PubChem (CID 167985248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).