N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide

C19H19NO2 — CID 90578198

IUPACN-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)C1CCC1
InChIInChI=1S/C19H19NO2/c21-19(16-9-5-10-16)20-13-3-4-14-22-18-12-6-8-15-7-1-2-11-17(15)18/h1-2,6-8,11-12,16H,5,9-10,13-14H2,(H,20,21)
InChIKeyDQDUKMJADFLXLL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds4

About N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide

N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide (PubChem CID 90578198) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
PubChem CID90578198
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)C1CCC1
InChIInChI=1S/C19H19NO2/c21-19(16-9-5-10-16)20-13-3-4-14-22-18-12-6-8-15-7-1-2-11-17(15)18/h1-2,6-8,11-12,16H,5,9-10,13-14H2,(H,20,21)
InChIKeyDQDUKMJADFLXLL-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
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

N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90578157
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide
CID 90576829
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
1-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]piperidine-3-carboxamide
CID 90575138
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
CID 90578147
2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578185
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide (CID 90578198) is N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide is O=C(NCC#CCOc1cccc2ccccc12)C1CCC1.
What is the InChIKey of N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide?
The InChIKey is DQDUKMJADFLXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(16-9-5-10-16)20-13-3-4-14-22-18-12-6-8-15-7-1-2-11-17(15)18/h1-2,6-8,11-12,16H,5,9-10,13-14H2,(H,20,21).
What are the key properties of N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide?
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide is sourced from PubChem (CID 90578198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).