N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide

C16H21NO4 — CID 162035650

IUPACN-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide
SMILESC#Cc1ccc(NC(=O)CCCOCCOCCO)cc1
InChIInChI=1S/C16H21NO4/c1-2-14-5-7-15(8-6-14)17-16(19)4-3-10-20-12-13-21-11-9-18/h1,5-8,18H,3-4,9-13H2,(H,17,19)
InChIKeyYWPLKVHFNZZGBY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.41
Rot. Bonds10

About N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide

N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide (PubChem CID 162035650) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide.

Molecular Properties

Compound NameN-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide
PubChem CID162035650
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide
SMILESC#Cc1ccc(NC(=O)CCCOCCOCCO)cc1
InChIInChI=1S/C16H21NO4/c1-2-14-5-7-15(8-6-14)17-16(19)4-3-10-20-12-13-21-11-9-18/h1,5-8,18H,3-4,9-13H2,(H,17,19)
InChIKeyYWPLKVHFNZZGBY-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 8-(4-ethynylanilino)-8-oxooctanoate
CID 156793808
11-(4-ethynylphenoxy)-N-(4-sulfanylphenyl)undecanamide
CID 102075476
4-but-3-enoxy-N-(4-cyanophenyl)butanamide
CID 29005997
N-(6-ethynyl-3-pyridinyl)-4-[2-(2-methoxyethoxy)ethoxy]butanamide
CID 147160524
2-bromo-N-(4-ethynylphenyl)acetamide
CID 147225223
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 166479502
4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
CID 139895483
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
CID 106309850
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide?
The IUPAC name of N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide (CID 162035650) is N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide.
What is the SMILES notation for N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide?
The canonical SMILES for N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide is C#Cc1ccc(NC(=O)CCCOCCOCCO)cc1.
What is the InChIKey of N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide?
The InChIKey is YWPLKVHFNZZGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-14-5-7-15(8-6-14)17-16(19)4-3-10-20-12-13-21-11-9-18/h1,5-8,18H,3-4,9-13H2,(H,17,19).
What are the key properties of N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide?
N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide has a molecular weight of 291.35 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide is sourced from PubChem (CID 162035650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).