N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide

C16H19NO3 — CID 81293122

IUPACN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
SMILESCCc1cc(C#CCO)ccc1NC(=O)C1CCOC1
InChIInChI=1S/C16H19NO3/c1-2-13-10-12(4-3-8-18)5-6-15(13)17-16(19)14-7-9-20-11-14/h5-6,10,14,18H,2,7-9,11H2,1H3,(H,17,19)
InChIKeyWFPOSGXGFWGDAS-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.57
Rot. Bonds3

About N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide

N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide (PubChem CID 81293122) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
PubChem CID81293122
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
SMILESCCc1cc(C#CCO)ccc1NC(=O)C1CCOC1
InChIInChI=1S/C16H19NO3/c1-2-13-10-12(4-3-8-18)5-6-15(13)17-16(19)14-7-9-20-11-14/h5-6,10,14,18H,2,7-9,11H2,1H3,(H,17,19)
InChIKeyWFPOSGXGFWGDAS-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-1,4-dioxane-2-carboxamide
CID 81288528
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]oxane-3-carboxamide
CID 62760338
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxane-3-carboxamide
CID 82766265
N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide
CID 61277289
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
CID 81287490
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
CID 71983580
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81292049
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide
CID 81271078
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide (CID 81293122) is N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide is CCc1cc(C#CCO)ccc1NC(=O)C1CCOC1.
What is the InChIKey of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide?
The InChIKey is WFPOSGXGFWGDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-13-10-12(4-3-8-18)5-6-15(13)17-16(19)14-7-9-20-11-14/h5-6,10,14,18H,2,7-9,11H2,1H3,(H,17,19).
What are the key properties of N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide?
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 81293122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).