N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

C20H26ClNO2 — CID 2268550

IUPACN-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc(C)c1Cl
InChIInChI=1S/C20H26ClNO2/c1-11-3-17(4-12(2)19(11)21)24-10-18(23)22-20-15-6-13-5-14(8-15)9-16(20)7-13/h3-4,13-16,20H,5-10H2,1-2H3,(H,22,23)
InChIKeyZWLNAWMDKOUQPL-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.28
Rot. Bonds4

About N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (PubChem CID 2268550) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
PubChem CID2268550
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC NameN-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc(C)c1Cl
InChIInChI=1S/C20H26ClNO2/c1-11-3-17(4-12(2)19(11)21)24-10-18(23)22-20-15-6-13-5-14(8-15)9-16(20)7-13/h3-4,13-16,20H,5-10H2,1-2H3,(H,22,23)
InChIKeyZWLNAWMDKOUQPL-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-2-(4-methoxyphenoxy)acetamide
CID 883714
N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 1370294
1-(1-adamantyl)-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]urea
CID 5173560
N-(2-adamantyl)-2-methoxyacetamide
CID 24659070
(1S,2S,3R,4S)-3-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98289428
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
CID 17140821
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
(3Z)-N-(2-adamantyl)-3-[[2-(2,4-dibromo-5-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 6145836
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
(1R,2S,3S,4S)-3-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51390926

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (CID 2268550) is N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc(C)c1Cl.
What is the InChIKey of N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is ZWLNAWMDKOUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-11-3-17(4-12(2)19(11)21)24-10-18(23)22-20-15-6-13-5-14(8-15)9-16(20)7-13/h3-4,13-16,20H,5-10H2,1-2H3,(H,22,23).
What are the key properties of N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 347.89 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 2268550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).