2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide

C18H21BrN2O — CID 120668214

IUPAC2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)CCc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O/c1-13-3-7-15(8-4-13)17(20)18(22)21(2)12-11-14-5-9-16(19)10-6-14/h3-10,17H,11-12,20H2,1-2H3
InChIKeyDOEPUMFJHMLVAO-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.46
Rot. Bonds5

About 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide

2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide (PubChem CID 120668214) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
PubChem CID120668214
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(C)CCc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O/c1-13-3-7-15(8-4-13)17(20)18(22)21(2)12-11-14-5-9-16(19)10-6-14/h3-10,17H,11-12,20H2,1-2H3
InChIKeyDOEPUMFJHMLVAO-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride
CID 120670650
2-amino-N-methyl-2-(4-methylphenyl)-N-propylacetamide
CID 106151263
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180130
2-amino-N-methyl-2-(4-methylphenyl)-N-pentylacetamide
CID 106312073
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115188667
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-phenylmethoxyethyl)acetamide;hydrochloride
CID 120669222
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 106151480
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668393
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide (CID 120668214) is 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)N(C)CCc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide?
The InChIKey is DOEPUMFJHMLVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-13-3-7-15(8-4-13)17(20)18(22)21(2)12-11-14-5-9-16(19)10-6-14/h3-10,17H,11-12,20H2,1-2H3.
What are the key properties of 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide?
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide has a molecular weight of 361.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120668214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).