N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide

C22H30ClNO2 — CID 7945278

IUPACN-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C(C)C)cc1Cl
InChIInChI=1S/C22H30ClNO2/c1-13(2)18-8-19(23)14(3)4-20(18)26-12-21(25)24-22-9-15-5-16(10-22)7-17(6-15)11-22/h4,8,13,15-17H,5-7,9-12H2,1-3H3,(H,24,25)
InChIKeyDWVWFOXGDUCNMF-UHFFFAOYSA-N
MW375.94 g/mol
LogP5.24
Rot. Bonds5

About N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide

N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 7945278) has the molecular formula C22H30ClNO2 and a molecular weight of 375.94 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID7945278
Molecular FormulaC22H30ClNO2
Molecular Weight375.94 g/mol
Exact Mass375.20
IUPAC NameN-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C(C)C)cc1Cl
InChIInChI=1S/C22H30ClNO2/c1-13(2)18-8-19(23)14(3)4-20(18)26-12-21(25)24-22-9-15-5-16(10-22)7-17(6-15)11-22/h4,8,13,15-17H,5-7,9-12H2,1-3H3,(H,24,25)
InChIKeyDWVWFOXGDUCNMF-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.94
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19580675
N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
CID 5022507
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 51146147
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26210021
N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 3901343
1-(1-adamantyl)-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]urea
CID 5173560
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(2R,3R)-2-cyclopropyloxolan-3-yl]acetamide
CID 97067622
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 4842618
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 75403613

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide (CID 7945278) is N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C(C)C)cc1Cl.
What is the InChIKey of N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is DWVWFOXGDUCNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClNO2/c1-13(2)18-8-19(23)14(3)4-20(18)26-12-21(25)24-22-9-15-5-16(10-22)7-17(6-15)11-22/h4,8,13,15-17H,5-7,9-12H2,1-3H3,(H,24,25).
What are the key properties of N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 375.94 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7945278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).