2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide

C18H21BrN2O2 — CID 170614484

IUPAC2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide
SMILESCc1ccc(C(O)(CN(C)C(=O)CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-3-5-14(6-4-13)18(23,12-21(2)17(22)11-20)15-7-9-16(19)10-8-15/h3-10,23H,11-12,20H2,1-2H3
InChIKeyNHZXCFSMWMSXRN-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.41
Rot. Bonds5

About 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide

2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide (PubChem CID 170614484) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide
PubChem CID170614484
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide
SMILESCc1ccc(C(O)(CN(C)C(=O)CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-3-5-14(6-4-13)18(23,12-21(2)17(22)11-20)15-7-9-16(19)10-8-15/h3-10,23H,11-12,20H2,1-2H3
InChIKeyNHZXCFSMWMSXRN-UHFFFAOYSA-N
XLogP2.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-bromophenyl)-1-(4-methylphenyl)ethanol
CID 83748925
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
diethyl 2-(4-bromophenyl)-2-(hydroxymethyl)propanedioate
CID 170992989
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
ethyl 3-(4-bromophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397381
ethyl 3-[4-(4-bromophenyl)phenyl]-3-hydroxybutanoate
CID 22718779
2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
methyl (2R)-3-amino-2-[(4-bromophenyl)methyl]-2-(4-methylphenyl)-3-oxopropanoate
CID 134948255
2-(4-bromophenyl)-2-ethoxycarbonyl-4-hydroxybutanoic acid
CID 103975020
ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate
CID 64539878
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide (CID 170614484) is 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide is Cc1ccc(C(O)(CN(C)C(=O)CN)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide?
The InChIKey is NHZXCFSMWMSXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13-3-5-14(6-4-13)18(23,12-21(2)17(22)11-20)15-7-9-16(19)10-8-15/h3-10,23H,11-12,20H2,1-2H3.
What are the key properties of 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide?
2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide has a molecular weight of 377.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenyl)-2-hydroxy-2-(4-methylphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 170614484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).