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

C21H17NO2 — CID 90578060

IUPACN-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-21(18-10-2-1-3-11-18)22-15-6-7-16-24-20-14-8-12-17-9-4-5-13-19(17)20/h1-5,8-14H,15-16H2,(H,22,23)
InChIKeyOBWKXJPQZRODBF-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.65
Rot. Bonds4

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

N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide (PubChem CID 90578060) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
PubChem CID90578060
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC NameN-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-21(18-10-2-1-3-11-18)22-15-6-7-16-24-20-14-8-12-17-9-4-5-13-19(17)20/h1-5,8-14H,15-16H2,(H,22,23)
InChIKeyOBWKXJPQZRODBF-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-naphthalen-1-yloxybut-2-ynyl)-3H-benzimidazole-5-carboxamide
CID 90578009
2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
5-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)furan-2-carboxamide
CID 90578147
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
N-(4-naphthalen-1-yloxybut-2-ynyl)-4-propylthiadiazole-5-carboxamide
CID 90578211
4-chloro-N-[4-(2-chlorophenoxy)but-2-ynyl]benzamide
CID 90574833
N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
CID 90574329

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide?
The IUPAC name of N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide (CID 90578060) is N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide.
What is the SMILES notation for N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide?
The canonical SMILES for N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide is O=C(NCC#CCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide?
The InChIKey is OBWKXJPQZRODBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-21(18-10-2-1-3-11-18)22-15-6-7-16-24-20-14-8-12-17-9-4-5-13-19(17)20/h1-5,8-14H,15-16H2,(H,22,23).
What are the key properties of N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide?
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.65, 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)benzamide is sourced from PubChem (CID 90578060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).