2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride

C15H24BrClN2O — CID 119317253

IUPAC2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)(C)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-4-5-13(17)14(19)18-15(2,3)10-11-6-8-12(16)9-7-11;/h6-9,13H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyIWDCUORPGYFFLF-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.44
Rot. Bonds6

About 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride

2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride (PubChem CID 119317253) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride
PubChem CID119317253
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC Name2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)(C)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-4-5-13(17)14(19)18-15(2,3)10-11-6-8-12(16)9-7-11;/h6-9,13H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyIWDCUORPGYFFLF-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
2-amino-N-[2-(4-ethylphenyl)propan-2-yl]pentanamide
CID 119337742
2-amino-N-(2,4-dimethylpentan-2-yl)pentanamide
CID 135224025
2-amino-N-(3-methylpentan-3-yl)pentanamide;hydrochloride
CID 119324973
N-[2-(2-aminopentanoylamino)ethyl]-4-bromobenzamide
CID 119299531
methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
CID 56972079
diethyl 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]propanedioate
CID 15711983
(2S)-2-amino-N-(3-methylpentan-3-yl)pentanamide
CID 106328652
4-amino-5-[2-(4-bromophenyl)propan-2-ylamino]-5-oxopentanoic acid
CID 64896765

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride (CID 119317253) is 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(C)(C)Cc1ccc(Br)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride?
The InChIKey is IWDCUORPGYFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-4-5-13(17)14(19)18-15(2,3)10-11-6-8-12(16)9-7-11;/h6-9,13H,4-5,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride?
2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-bromophenyl)-2-methylpropan-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119317253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).