4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide

C13H19BrN2O — CID 115156135

IUPAC4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NCCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(6-8-15)13(17)16-9-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyGFGWKOZWFOUFHU-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.09
Rot. Bonds6

About 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide

4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide (PubChem CID 115156135) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
PubChem CID115156135
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NCCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(6-8-15)13(17)16-9-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyGFGWKOZWFOUFHU-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(2-bromophenyl)ethyl]-2-(carbamoylamino)propanamide
CID 95312924
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911211
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
CID 108900641
N-[2-(2-bromophenyl)ethyl]-2-(methylaminomethyl)butanamide
CID 115188974
N-[2-(2-bromophenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 49003014
1-[2-(2-bromophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108900661
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 49052603
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide (CID 115156135) is 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide is CC(CCN)C(=O)NCCc1ccccc1Br.
What is the InChIKey of 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide?
The InChIKey is GFGWKOZWFOUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(6-8-15)13(17)16-9-7-11-4-2-3-5-12(11)14/h2-5,10H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide?
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 115156135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).