N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide

C10H15NO2 — CID 107989485

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
SMILESC=C(C)COCCNC(=O)C#CC
InChIInChI=1S/C10H15NO2/c1-4-5-10(12)11-6-7-13-8-9(2)3/h2,6-8H2,1,3H3,(H,11,12)
InChIKeyDVGJMZUJHVXMNU-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide

N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide (PubChem CID 107989485) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
PubChem CID107989485
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
SMILESC=C(C)COCCNC(=O)C#CC
InChIInChI=1S/C10H15NO2/c1-4-5-10(12)11-6-7-13-8-9(2)3/h2,6-8H2,1,3H3,(H,11,12)
InChIKeyDVGJMZUJHVXMNU-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
N-[2-(2-oxopropoxy)ethyl]acetamide
CID 144871697
N-[2-[(2-ethylcyclopentyl)methoxy]ethyl]but-2-ynamide
CID 90741995
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873
cis-(1R,3S)-2,2-dimethyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114093097
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
CID 115699624
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide (CID 107989485) is N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide is C=C(C)COCCNC(=O)C#CC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide?
The InChIKey is DVGJMZUJHVXMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-5-10(12)11-6-7-13-8-9(2)3/h2,6-8H2,1,3H3,(H,11,12).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide?
N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide is sourced from PubChem (CID 107989485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).