N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide

C15H22N2O3 — CID 146092937

IUPACN-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide
SMILESCC#CC(=O)N(CC(=O)N1CCCC1)CC1CCCO1
InChIInChI=1S/C15H22N2O3/c1-2-6-14(18)17(11-13-7-5-10-20-13)12-15(19)16-8-3-4-9-16/h13H,3-5,7-12H2,1H3
InChIKeyHTYGGMLZMATWIY-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.64
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide

N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide (PubChem CID 146092937) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide
PubChem CID146092937
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide
SMILESCC#CC(=O)N(CC(=O)N1CCCC1)CC1CCCO1
InChIInChI=1S/C15H22N2O3/c1-2-6-14(18)17(11-13-7-5-10-20-13)12-15(19)16-8-3-4-9-16/h13H,3-5,7-12H2,1H3
InChIKeyHTYGGMLZMATWIY-UHFFFAOYSA-N
XLogP0.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160269
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 97250924
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
2-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219384
2-bromo-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219383
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 86825071
2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide
CID 97219655
4-methoxy-3-(methylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219657
2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 120901096
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160227
2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide (CID 146092937) is N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide is CC#CC(=O)N(CC(=O)N1CCCC1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide?
The InChIKey is HTYGGMLZMATWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-6-14(18)17(11-13-7-5-10-20-13)12-15(19)16-8-3-4-9-16/h13H,3-5,7-12H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide?
N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide has a molecular weight of 278.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide is sourced from PubChem (CID 146092937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).