N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide

C16H21NO3 — CID 90575522

IUPACN-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#CCOc1ccccc1OC
InChIInChI=1S/C16H21NO3/c1-3-4-11-16(18)17-12-7-8-13-20-15-10-6-5-9-14(15)19-2/h5-6,9-10H,3-4,11-13H2,1-2H3,(H,17,18)
InChIKeyQOSOZWLYCFWUBW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds7

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

N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide (PubChem CID 90575522) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
PubChem CID90575522
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#CCOc1ccccc1OC
InChIInChI=1S/C16H21NO3/c1-3-4-11-16(18)17-12-7-8-13-20-15-10-6-5-9-14(15)19-2/h5-6,9-10H,3-4,11-13H2,1-2H3,(H,17,18)
InChIKeyQOSOZWLYCFWUBW-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide 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-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
CID 71802876
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3,3-dimethylbutanamide
CID 90575523
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
CID 90577630
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
N-[4-(2-methoxyphenoxy)but-2-ynyl]but-2-enamide
CID 91939404
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575527
4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
N-[4-(2-methylphenoxy)but-2-ynyl]-4-phenylbutanamide
CID 90575257
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide (CID 90575522) is N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide is CCCCC(=O)NCC#CCOc1ccccc1OC.
What is the InChIKey of N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide?
The InChIKey is QOSOZWLYCFWUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-4-11-16(18)17-12-7-8-13-20-15-10-6-5-9-14(15)19-2/h5-6,9-10H,3-4,11-13H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide?
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide has a molecular weight of 275.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide is sourced from PubChem (CID 90575522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).