N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide

C19H24BrNO2 — CID 1370294

IUPACN-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c1
InChIInChI=1S/C19H24BrNO2/c1-11-2-3-17(16(20)4-11)23-10-18(22)21-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-4,12-15,19H,5-10H2,1H3,(H,21,22)
InChIKeyNROJLMGRILTVKW-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.08
Rot. Bonds4

About N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide

N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide (PubChem CID 1370294) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide
PubChem CID1370294
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC NameN-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c1
InChIInChI=1S/C19H24BrNO2/c1-11-2-3-17(16(20)4-11)23-10-18(22)21-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-4,12-15,19H,5-10H2,1H3,(H,21,22)
InChIKeyNROJLMGRILTVKW-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-adamantyl)-2-(2-bromo-4-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-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
(3Z)-N-(2-adamantyl)-3-[[2-(2,4-dibromo-5-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 6145836
N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2268550
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697
2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3365328
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
N-(2-adamantyl)-2-(4-methoxyphenoxy)acetamide
CID 883714
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide (CID 1370294) is N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c1.
What is the InChIKey of N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide?
The InChIKey is NROJLMGRILTVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO2/c1-11-2-3-17(16(20)4-11)23-10-18(22)21-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-4,12-15,19H,5-10H2,1H3,(H,21,22).
What are the key properties of N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide?
N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide has a molecular weight of 378.31 g/mol, XLogP of 4.08, 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-(2-bromo-4-methylphenoxy)acetamide is sourced from PubChem (CID 1370294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).