4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide

C13H19BrN2O — CID 115156946

IUPAC4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
SMILESCN(C(=O)C(C)(C)CCN)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-13(2,8-9-15)12(17)16(3)11-6-4-10(14)5-7-11/h4-7H,8-9,15H2,1-3H3
InChIKeyDSIAMIODMWUOGF-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.79
Rot. Bonds4

About 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide

4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide (PubChem CID 115156946) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
PubChem CID115156946
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
SMILESCN(C(=O)C(C)(C)CCN)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-13(2,8-9-15)12(17)16(3)11-6-4-10(14)5-7-11/h4-7H,8-9,15H2,1-3H3
InChIKeyDSIAMIODMWUOGF-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
CID 115156948
3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride
CID 119706053
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
CID 115156967
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 114285595
ethyl N-(4-bromophenyl)-N-methylcarbamate
CID 131862849
1-(4-bromophenyl)-3-methoxy-1-methylurea
CID 142707557
4-amino-1-(5-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 116916389
2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
4-[(6-amino-4,4-dimethylhexanoyl)-methylamino]benzoic acid
CID 104698742

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide?
The IUPAC name of 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide (CID 115156946) is 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide is CN(C(=O)C(C)(C)CCN)c1ccc(Br)cc1.
What is the InChIKey of 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide?
The InChIKey is DSIAMIODMWUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(2,8-9-15)12(17)16(3)11-6-4-10(14)5-7-11/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide?
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 115156946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).