N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide

C14H22BrN3O — CID 120705145

IUPACN-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(CCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H22BrN3O/c1-16-10-14(19)18(9-8-17(2)3)11-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3
InChIKeyAXYPECUJLUUGNV-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.56
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide

N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide (PubChem CID 120705145) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
PubChem CID120705145
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC NameN-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(CCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H22BrN3O/c1-16-10-14(19)18(9-8-17(2)3)11-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3
InChIKeyAXYPECUJLUUGNV-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide (CID 120705145) is N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide is CNCC(=O)N(CCN(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
The InChIKey is AXYPECUJLUUGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-16-10-14(19)18(9-8-17(2)3)11-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide has a molecular weight of 328.25 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 120705145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).