N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide

C13H19BrN2O — CID 112727459

IUPACN-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)16-9-12(17)15-8-10-6-4-5-7-11(10)14/h4-7,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyZOXYZGROAPAWPB-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.45
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide

N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide (PubChem CID 112727459) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
PubChem CID112727459
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)16-9-12(17)15-8-10-6-4-5-7-11(10)14/h4-7,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyZOXYZGROAPAWPB-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
5-[(2-bromophenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62048219
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
4-[(2-bromophenyl)methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164842
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
N-[(2-bromophenyl)methyl]-4-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 91477967
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 71820721

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide (CID 112727459) is N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide is CC(C)(C)NCC(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide?
The InChIKey is ZOXYZGROAPAWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(2,3)16-9-12(17)15-8-10-6-4-5-7-11(10)14/h4-7,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide?
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide has a molecular weight of 299.21 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide is sourced from PubChem (CID 112727459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).