N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide

C20H26ClNO2 — CID 7921336

IUPACN-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1Cl
InChIInChI=1S/C20H26ClNO2/c1-13-4-17(2-3-18(13)21)24-11-19(23)22-12-20-8-14-5-15(9-20)7-16(6-14)10-20/h2-4,14-16H,5-12H2,1H3,(H,22,23)
InChIKeyOWTAKZUWFMDMHQ-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.36
Rot. Bonds5

About N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide

N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 7921336) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID7921336
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC NameN-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1Cl
InChIInChI=1S/C20H26ClNO2/c1-13-4-17(2-3-18(13)21)24-11-19(23)22-12-20-8-14-5-15(9-20)7-16(6-14)10-20/h2-4,14-16H,5-12H2,1H3,(H,22,23)
InChIKeyOWTAKZUWFMDMHQ-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)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

2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751110
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795150
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123
N-(1-adamantylmethyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7921272
N-(1-adamantylmethyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 7509178
N-(1-adamantylmethyl)-2-chloro-5-[2-(dimethylamino)ethoxy]benzamide
CID 20670038
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65450765

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide (CID 7921336) is N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide is Cc1cc(OCC(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is OWTAKZUWFMDMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-13-4-17(2-3-18(13)21)24-11-19(23)22-12-20-8-14-5-15(9-20)7-16(6-14)10-20/h2-4,14-16H,5-12H2,1H3,(H,22,23).
What are the key properties of N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide?
N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 347.89 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 7921336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).