N-(oxan-2-ylmethyl)but-2-ynamide

C10H15NO2 — CID 126988719

IUPACN-(oxan-2-ylmethyl)but-2-ynamide
SMILESCC#CC(=O)NCC1CCCCO1
InChIInChI=1S/C10H15NO2/c1-2-5-10(12)11-8-9-6-3-4-7-13-9/h9H,3-4,6-8H2,1H3,(H,11,12)
InChIKeyGBOBFRLVPVSHGF-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds2

About N-(oxan-2-ylmethyl)but-2-ynamide

N-(oxan-2-ylmethyl)but-2-ynamide (PubChem CID 126988719) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)but-2-ynamide.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)but-2-ynamide
PubChem CID126988719
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(oxan-2-ylmethyl)but-2-ynamide
SMILESCC#CC(=O)NCC1CCCCO1
InChIInChI=1S/C10H15NO2/c1-2-5-10(12)11-8-9-6-3-4-7-13-9/h9H,3-4,6-8H2,1H3,(H,11,12)
InChIKeyGBOBFRLVPVSHGF-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835049
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 55013928
2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
CID 63646163
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)but-2-ynamide?
The IUPAC name of N-(oxan-2-ylmethyl)but-2-ynamide (CID 126988719) is N-(oxan-2-ylmethyl)but-2-ynamide.
What is the SMILES notation for N-(oxan-2-ylmethyl)but-2-ynamide?
The canonical SMILES for N-(oxan-2-ylmethyl)but-2-ynamide is CC#CC(=O)NCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)but-2-ynamide?
The InChIKey is GBOBFRLVPVSHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-5-10(12)11-8-9-6-3-4-7-13-9/h9H,3-4,6-8H2,1H3,(H,11,12).
What are the key properties of N-(oxan-2-ylmethyl)but-2-ynamide?
N-(oxan-2-ylmethyl)but-2-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)but-2-ynamide is sourced from PubChem (CID 126988719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).