N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide

C20H27BrN2O — CID 9040085

IUPACN-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(Br)cc1
InChIInChI=1S/C20H27BrN2O/c1-23(12-14-2-4-18(21)5-3-14)13-19(24)22-20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,15-17H,6-13H2,1H3,(H,22,24)
InChIKeyWCIAIJGJZXPVAF-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.97
Rot. Bonds5

About N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide

N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide (PubChem CID 9040085) has the molecular formula C20H27BrN2O and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
PubChem CID9040085
Molecular FormulaC20H27BrN2O
Molecular Weight391.35 g/mol
Exact Mass390.13
IUPAC NameN-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(Br)cc1
InChIInChI=1S/C20H27BrN2O/c1-23(12-14-2-4-18(21)5-3-14)13-19(24)22-20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,15-17H,6-13H2,1H3,(H,22,24)
InChIKeyWCIAIJGJZXPVAF-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054385
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614
N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8798899
N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045207
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
N-(1-adamantyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436690
2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638
N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 3948880
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide (CID 9040085) is N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(Br)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide?
The InChIKey is WCIAIJGJZXPVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O/c1-23(12-14-2-4-18(21)5-3-14)13-19(24)22-20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,15-17H,6-13H2,1H3,(H,22,24).
What are the key properties of N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide?
N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide has a molecular weight of 391.35 g/mol, XLogP of 3.97, 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-bromophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9040085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).