2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide

C20H26FNO2 — CID 17381712

IUPAC2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H26FNO2/c21-17-1-3-18(4-2-17)24-6-5-22-19(23)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16H,5-13H2,(H,22,23)
InChIKeyFOVHXHUHPYKHTB-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.93
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide

2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide (PubChem CID 17381712) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
PubChem CID17381712
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H26FNO2/c21-17-1-3-18(4-2-17)24-6-5-22-19(23)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16H,5-13H2,(H,22,23)
InChIKeyFOVHXHUHPYKHTB-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
CID 108539727
N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795150
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
2-(1-adamantyl)-N-[2-methyl-5-[3-(methylamino)propoxy]phenyl]acetamide;hydrochloride
CID 131722598
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
2-[(3S,5S)-3,5-dimethyl-1-adamantyl]-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 98079939
2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4071679
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide (CID 17381712) is 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCOc1ccc(F)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The InChIKey is FOVHXHUHPYKHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c21-17-1-3-18(4-2-17)24-6-5-22-19(23)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16H,5-13H2,(H,22,23).
What are the key properties of 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide has a molecular weight of 331.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 17381712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).