N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide

C16H21NO3 — CID 82363007

IUPACN,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide
SMILESC#CCC(O)c1ccc(OCC(=O)N(CC)CC)cc1
InChIInChI=1S/C16H21NO3/c1-4-7-15(18)13-8-10-14(11-9-13)20-12-16(19)17(5-2)6-3/h1,8-11,15,18H,5-7,12H2,2-3H3
InChIKeyLRZLIROSKBIWOR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.99
Rot. Bonds7

About N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide

N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide (PubChem CID 82363007) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide
PubChem CID82363007
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide
SMILESC#CCC(O)c1ccc(OCC(=O)N(CC)CC)cc1
InChIInChI=1S/C16H21NO3/c1-4-7-15(18)13-8-10-14(11-9-13)20-12-16(19)17(5-2)6-3/h1,8-11,15,18H,5-7,12H2,2-3H3
InChIKeyLRZLIROSKBIWOR-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 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 ≤ 51.99
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,N-diethyl-2-(4-phenylphenoxy)acetamide
CID 717707
N-Hydroxy-N-{2-[4-(1-phenoxy-ethyl)-phenoxy]-ethyl}-acetamide
CID 44301932
4-[(4-Ethylphenoxy)acetyl]morpholine
CID 806693
N,N-Diethyl-2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-acetamide
CID 44348606
2-[4-(1-hydroxyethyl)phenoxy]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 44271017
Acetamide, 2-((p-methoxybenzyl)oxy)-N,N-dipropyl-
CID 85124
2-(2,4-Dipentylphenoxy)-N,N-diethylacetamide
CID 71332513
N,N-diethyl-2-(4-ethylphenoxy)acetamide
CID 2331624
Cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol
CID 50907301
1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methoxy]ethanone
CID 53618307
N-Acetylbisoprolol
CID 23471070
1-[4-[3-(Diethylamino)propoxy]phenyl]ethanol
CID 11858013

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide (CID 82363007) is N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide is C#CCC(O)c1ccc(OCC(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide?
The InChIKey is LRZLIROSKBIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-7-15(18)13-8-10-14(11-9-13)20-12-16(19)17(5-2)6-3/h1,8-11,15,18H,5-7,12H2,2-3H3.
What are the key properties of N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide?
N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide is sourced from PubChem (CID 82363007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).