2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide

C15H17NO2 — CID 114104398

IUPAC2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CCOC2CC)c1
InChIInChI=1S/C15H17NO2/c1-3-11-6-5-7-12(10-11)16-15(17)13-8-9-18-14(13)4-2/h1,5-7,10,13-14H,4,8-9H2,2H3,(H,16,17)
InChIKeyIIAHNXHQMZEOKA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.42
Rot. Bonds3

About 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide

2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide (PubChem CID 114104398) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide
PubChem CID114104398
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CCOC2CC)c1
InChIInChI=1S/C15H17NO2/c1-3-11-6-5-7-12(10-11)16-15(17)13-8-9-18-14(13)4-2/h1,5-7,10,13-14H,4,8-9H2,2H3,(H,16,17)
InChIKeyIIAHNXHQMZEOKA-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.42
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-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
2-ethyl-N-(3-hydroxy-4-methylphenyl)oxolane-3-carboxamide
CID 114104202
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
CID 114104996
N-(3-ethynylphenyl)-1,4-dioxane-2-carboxamide
CID 47176741
N-(3-ethynylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583716
4-(aminomethyl)-N-(3-ethynylphenyl)cyclohexane-1-carboxamide
CID 79527469
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
(1R,4R)-3-[(3-ethynylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 24987817
N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
CID 114105635
N-(3-ethynylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864784
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
N-(2-chloro-5-iodophenyl)-2-ethyloxolane-3-carboxamide
CID 114258881

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide?
The IUPAC name of 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide (CID 114104398) is 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide is C#Cc1cccc(NC(=O)C2CCOC2CC)c1.
What is the InChIKey of 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide?
The InChIKey is IIAHNXHQMZEOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-11-6-5-7-12(10-11)16-15(17)13-8-9-18-14(13)4-2/h1,5-7,10,13-14H,4,8-9H2,2H3,(H,16,17).
What are the key properties of 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide?
2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-ethynylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 114104398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).