N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide

C14H21BrN2O — CID 79652403

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-14(2,9-16)10-17(3)13(18)8-11-5-4-6-12(15)7-11/h4-7H,8-10,16H2,1-3H3
InChIKeySEDHHGQIOKARIW-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.43
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide (PubChem CID 79652403) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
PubChem CID79652403
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-14(2,9-16)10-17(3)13(18)8-11-5-4-6-12(15)7-11/h4-7H,8-10,16H2,1-3H3
InChIKeySEDHHGQIOKARIW-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide 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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
N-(3-amino-2,2-dimethylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119656281
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-benzodioxol-5-yl)-N-methylacetamide
CID 119654330
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide
CID 115272555
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-3-ylacetamide
CID 79652303
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-fluorophenyl)acetamide
CID 79668064
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
CID 119655363
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119653013

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide (CID 79652403) is N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide is CN(CC(C)(C)CN)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide?
The InChIKey is SEDHHGQIOKARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-14(2,9-16)10-17(3)13(18)8-11-5-4-6-12(15)7-11/h4-7H,8-10,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide has a molecular weight of 313.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide is sourced from PubChem (CID 79652403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).