2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide

C13H19BrN2O — CID 79810288

IUPAC2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-3-13(15,4-2)12(17)16-9-10-5-7-11(14)8-6-10/h5-8H,3-4,9,15H2,1-2H3,(H,16,17)
InChIKeyJCGIRQBPYQDTEA-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide

2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide (PubChem CID 79810288) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
PubChem CID79810288
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-3-13(15,4-2)12(17)16-9-10-5-7-11(14)8-6-10/h5-8H,3-4,9,15H2,1-2H3,(H,16,17)
InChIKeyJCGIRQBPYQDTEA-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide 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

2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
CID 79809845
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
(4-bromophenyl)methyl 2-amino-2-ethylbutanoate
CID 82823398
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
2-[(4-bromophenyl)methylamino]-2-oxoacetic acid;ethane
CID 145068790
1-[(4-bromophenyl)methyl]-3-ethylthiourea
CID 115617009
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide (CID 79810288) is 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide?
The InChIKey is JCGIRQBPYQDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-13(15,4-2)12(17)16-9-10-5-7-11(14)8-6-10/h5-8H,3-4,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide?
2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 79810288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).