N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride

C15H24BrClN2O — CID 119643020

IUPACN-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccccc1Br.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-3-15(17,4-2)11-18-14(19)10-9-12-7-5-6-8-13(12)16;/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19);1H
InChIKeyPDSOKTPVOFTZAJ-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.44
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride (PubChem CID 119643020) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
PubChem CID119643020
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccccc1Br.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-3-15(17,4-2)11-18-14(19)10-9-12-7-5-6-8-13(12)16;/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19);1H
InChIKeyPDSOKTPVOFTZAJ-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119643019
N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119640254
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide
CID 99983094
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
4-[3-(2-bromophenyl)propanoylamino]butanoic acid
CID 75428748
ethyl 5-(2-bromophenyl)-3-oxopentanoate
CID 66856925
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride (CID 119643020) is N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCc1ccccc1Br.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride?
The InChIKey is PDSOKTPVOFTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-3-15(17,4-2)11-18-14(19)10-9-12-7-5-6-8-13(12)16;/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119643020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).