N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide

C20H26N2O3 — CID 90577231

IUPACN-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
SMILESCC(=O)Nc1cccc(OCC#CCNC(=O)CCC2CCCC2)c1
InChIInChI=1S/C20H26N2O3/c1-16(23)22-18-9-6-10-19(15-18)25-14-5-4-13-21-20(24)12-11-17-7-2-3-8-17/h6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyABQBYJOCWFZNBW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds7

About N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide

N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide (PubChem CID 90577231) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
PubChem CID90577231
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
SMILESCC(=O)Nc1cccc(OCC#CCNC(=O)CCC2CCCC2)c1
InChIInChI=1S/C20H26N2O3/c1-16(23)22-18-9-6-10-19(15-18)25-14-5-4-13-21-20(24)12-11-17-7-2-3-8-17/h6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyABQBYJOCWFZNBW-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-(3-acetamidophenoxy)but-2-ynylamino]-4-oxobutanoate
CID 90577240
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90577336
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(3-methylphenyl)acetamide
CID 90577329
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577641
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
CID 103160504
N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 90577423
3-cyclohexyl-N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]propanamide
CID 90578437
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
3-cyclohexyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]propanamide
CID 17123697
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90577265

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide (CID 90577231) is N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide is CC(=O)Nc1cccc(OCC#CCNC(=O)CCC2CCCC2)c1.
What is the InChIKey of N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide?
The InChIKey is ABQBYJOCWFZNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16(23)22-18-9-6-10-19(15-18)25-14-5-4-13-21-20(24)12-11-17-7-2-3-8-17/h6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide?
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 90577231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).