2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide

C24H27NO3 — CID 24811214

IUPAC2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide
SMILESO=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(O)c1
InChIInChI=1S/C24H27NO3/c26-21-3-1-2-20(11-21)25-23(27)15-28-22-6-4-19(5-7-22)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18,26H,8-10,12-15H2,(H,25,27)
InChIKeyYMYRCUDAYXNHQT-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.88
Rot. Bonds5

About 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide

2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide (PubChem CID 24811214) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide
PubChem CID24811214
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide
SMILESO=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(O)c1
InChIInChI=1S/C24H27NO3/c26-21-3-1-2-20(11-21)25-23(27)15-28-22-6-4-19(5-7-22)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18,26H,8-10,12-15H2,(H,25,27)
InChIKeyYMYRCUDAYXNHQT-UHFFFAOYSA-N
XLogP4.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate
CID 24811561
2-[4-(1-adamantyl)phenoxy]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 24811559
2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4071679
2-(4-fluorophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 6458581
N-(3-hydroxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 78783405
2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-5-chlorobenzoic acid
CID 66679797
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
2-[4-(1-adamantyl)phenoxy]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 4798626
N-[(E)-[4-[2-[4-(1-adamantyl)anilino]-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126019561
methyl 2-[[2-[3-(1-adamantyl)phenoxy]acetyl]amino]-5-chlorobenzoate
CID 66679857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide (CID 24811214) is 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide is O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(O)c1.
What is the InChIKey of 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is YMYRCUDAYXNHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-21-3-1-2-20(11-21)25-23(27)15-28-22-6-4-19(5-7-22)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18,26H,8-10,12-15H2,(H,25,27).
What are the key properties of 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide?
2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide has a molecular weight of 377.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 24811214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).