N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide

C15H17NO3 — CID 61277289

IUPACN-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)cc1)C1CCOC1
InChIInChI=1S/C15H17NO3/c17-9-2-1-3-12-4-6-14(7-5-12)16-15(18)13-8-10-19-11-13/h4-7,13,17H,2,8-11H2,(H,16,18)
InChIKeyWLMKRYWOBBCPAB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.40
Rot. Bonds3

About N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide

N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide (PubChem CID 61277289) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide
PubChem CID61277289
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)cc1)C1CCOC1
InChIInChI=1S/C15H17NO3/c17-9-2-1-3-12-4-6-14(7-5-12)16-15(18)13-8-10-19-11-13/h4-7,13,17H,2,8-11H2,(H,16,18)
InChIKeyWLMKRYWOBBCPAB-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.40
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-(4-hydroxybut-1-ynyl)phenyl]-1,4-dioxane-2-carboxamide
CID 62805457
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-3-carboxamide
CID 63333873
N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]oxolane-3-carboxamide
CID 82766198
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 61277085
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
CID 81293122
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide (CID 61277289) is N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide is O=C(Nc1ccc(C#CCCO)cc1)C1CCOC1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide?
The InChIKey is WLMKRYWOBBCPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-9-2-1-3-12-4-6-14(7-5-12)16-15(18)13-8-10-19-11-13/h4-7,13,17H,2,8-11H2,(H,16,18).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide?
N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 61277289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).