2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide

C23H21NO4 — CID 90578119

IUPAC2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESCOc1cccc(OCC(=O)NCC#CCOc2cccc3ccccc23)c1
InChIInChI=1S/C23H21NO4/c1-26-19-10-7-11-20(16-19)28-17-23(25)24-14-4-5-15-27-22-13-6-9-18-8-2-3-12-21(18)22/h2-3,6-13,16H,14-15,17H2,1H3,(H,24,25)
InChIKeyDRWSRCHOBWYQDN-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.43
Rot. Bonds7

About 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide

2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (PubChem CID 90578119) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
PubChem CID90578119
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESCOc1cccc(OCC(=O)NCC#CCOc2cccc3ccccc23)c1
InChIInChI=1S/C23H21NO4/c1-26-19-10-7-11-20(16-19)28-17-23(25)24-14-4-5-15-27-22-13-6-9-18-8-2-3-12-21(18)22/h2-3,6-13,16H,14-15,17H2,1H3,(H,24,25)
InChIKeyDRWSRCHOBWYQDN-UHFFFAOYSA-N
XLogP3.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
CID 90580499
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578114
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
CID 90578229
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
CID 90497307
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (CID 90578119) is 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is COc1cccc(OCC(=O)NCC#CCOc2cccc3ccccc23)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The InChIKey is DRWSRCHOBWYQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-26-19-10-7-11-20(16-19)28-17-23(25)24-14-4-5-15-27-22-13-6-9-18-8-2-3-12-21(18)22/h2-3,6-13,16H,14-15,17H2,1H3,(H,24,25).
What are the key properties of 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide has a molecular weight of 375.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is sourced from PubChem (CID 90578119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).