2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide

C17H27BrN2O — CID 55430697

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-12(2)20(13(3)4)17(21)14(5)19(6)11-15-9-7-8-10-16(15)18/h7-10,12-14H,11H2,1-6H3
InChIKeyKNDYLEPDTWTTBZ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.91
Rot. Bonds6

About 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide

2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide (PubChem CID 55430697) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
PubChem CID55430697
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-12(2)20(13(3)4)17(21)14(5)19(6)11-15-9-7-8-10-16(15)18/h7-10,12-14H,11H2,1-6H3
InChIKeyKNDYLEPDTWTTBZ-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide 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

methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
CID 60705715
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 55354630
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94589884
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
2-[[(2-bromophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638488
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide (CID 55430697) is 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide is CC(C(=O)N(C(C)C)C(C)C)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide?
The InChIKey is KNDYLEPDTWTTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-12(2)20(13(3)4)17(21)14(5)19(6)11-15-9-7-8-10-16(15)18/h7-10,12-14H,11H2,1-6H3.
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide?
2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide has a molecular weight of 355.32 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 55430697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).