2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide

C21H23NO5 — CID 90575591

IUPAC2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCC#CCOc2ccccc2OC)cc1
InChIInChI=1S/C21H23NO5/c1-3-25-17-10-12-18(13-11-17)27-16-21(23)22-14-6-7-15-26-20-9-5-4-8-19(20)24-2/h4-5,8-13H,3,14-16H2,1-2H3,(H,22,23)
InChIKeyRPTWVAWWNILHSV-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.67
Rot. Bonds9

About 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide

2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide (PubChem CID 90575591) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
PubChem CID90575591
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCC#CCOc2ccccc2OC)cc1
InChIInChI=1S/C21H23NO5/c1-3-25-17-10-12-18(13-11-17)27-16-21(23)22-14-6-7-15-26-20-9-5-4-8-19(20)24-2/h4-5,8-13H,3,14-16H2,1-2H3,(H,22,23)
InChIKeyRPTWVAWWNILHSV-UHFFFAOYSA-N
XLogP2.67
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579328
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3,3-dimethylbutanamide
CID 90575523
N-[4-(3-bromophenoxy)but-2-ynyl]-2-(4-ethoxyphenoxy)acetamide
CID 90576513
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
CID 90580499
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
CID 71802876
2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide
CID 90575160
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 3647692
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580148

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide (CID 90575591) is 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide is CCOc1ccc(OCC(=O)NCC#CCOc2ccccc2OC)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The InChIKey is RPTWVAWWNILHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-3-25-17-10-12-18(13-11-17)27-16-21(23)22-14-6-7-15-26-20-9-5-4-8-19(20)24-2/h4-5,8-13H,3,14-16H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide is sourced from PubChem (CID 90575591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).