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

C20H21NO2 — CID 90578043

IUPACN-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)C1CCCC1
InChIInChI=1S/C20H21NO2/c22-20(17-9-1-2-10-17)21-14-5-6-15-23-19-13-7-11-16-8-3-4-12-18(16)19/h3-4,7-8,11-13,17H,1-2,9-10,14-15H2,(H,21,22)
InChIKeyFUMBNEYHMQRBMM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.53
Rot. Bonds4

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

N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide (PubChem CID 90578043) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
PubChem CID90578043
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)C1CCCC1
InChIInChI=1S/C20H21NO2/c22-20(17-9-1-2-10-17)21-14-5-6-15-23-19-13-7-11-16-8-3-4-12-18(16)19/h3-4,7-8,11-13,17H,1-2,9-10,14-15H2,(H,21,22)
InChIKeyFUMBNEYHMQRBMM-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.53
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)cyclobutanecarboxamide
CID 90578198
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide
CID 90576829
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
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)cyclopentanecarboxamide?
The IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide (CID 90578043) is N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide is O=C(NCC#CCOc1cccc2ccccc12)C1CCCC1.
What is the InChIKey of N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide?
The InChIKey is FUMBNEYHMQRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-20(17-9-1-2-10-17)21-14-5-6-15-23-19-13-7-11-16-8-3-4-12-18(16)19/h3-4,7-8,11-13,17H,1-2,9-10,14-15H2,(H,21,22).
What are the key properties of N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide?
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.53, 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)cyclopentanecarboxamide is sourced from PubChem (CID 90578043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).