2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide

C15H19NO3 — CID 90575160

IUPAC2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide
SMILESCCOCC(=O)NCC#CCOc1ccccc1C
InChIInChI=1S/C15H19NO3/c1-3-18-12-15(17)16-10-6-7-11-19-14-9-5-4-8-13(14)2/h4-5,8-9H,3,10-12H2,1-2H3,(H,16,17)
InChIKeyCAJKTTQCRDDBDO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds6

About 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide

2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide (PubChem CID 90575160) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide
PubChem CID90575160
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide
SMILESCCOCC(=O)NCC#CCOc1ccccc1C
InChIInChI=1S/C15H19NO3/c1-3-18-12-15(17)16-10-6-7-11-19-14-9-5-4-8-13(14)2/h4-5,8-9H,3,10-12H2,1-2H3,(H,16,17)
InChIKeyCAJKTTQCRDDBDO-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methylphenoxy)but-2-ynyl]-4-phenylbutanamide
CID 90575257
N-[4-(2-methylphenoxy)but-2-ynyl]-4-oxo-4-phenylbutanamide
CID 90575087
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
4-(4-chlorophenyl)-N-[4-(2-methylphenoxy)but-2-ynyl]-4-oxobutanamide
CID 90575120
methyl 4-[4-(2-methylphenoxy)but-2-ynylcarbamoyl]benzoate
CID 90575124
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90578518
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90549535
1-cyclohexyl-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575360
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
N-[4-(2-methylphenoxy)but-2-ynyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 90575103
1-(4-tert-butylphenyl)-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575380

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide?
The IUPAC name of 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide (CID 90575160) is 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide is CCOCC(=O)NCC#CCOc1ccccc1C.
What is the InChIKey of 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide?
The InChIKey is CAJKTTQCRDDBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-18-12-15(17)16-10-6-7-11-19-14-9-5-4-8-13(14)2/h4-5,8-9H,3,10-12H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide?
2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide is sourced from PubChem (CID 90575160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).