N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride

C14H24BrClN2OS — CID 119600366

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCc1cc(Br)cs1.Cl
InChIInChI=1S/C14H23BrN2OS.ClH/c1-10(2)7-14(3,9-16)17-13(18)5-4-12-6-11(15)8-19-12;/h6,8,10H,4-5,7,9,16H2,1-3H3,(H,17,18);1H
InChIKeyNVQGDTRBNCIASN-UHFFFAOYSA-N
MW383.78 g/mol
LogP3.74
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride (PubChem CID 119600366) has the molecular formula C14H24BrClN2OS and a molecular weight of 383.78 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
PubChem CID119600366
Molecular FormulaC14H24BrClN2OS
Molecular Weight383.78 g/mol
Exact Mass382.05
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCc1cc(Br)cs1.Cl
InChIInChI=1S/C14H23BrN2OS.ClH/c1-10(2)7-14(3,9-16)17-13(18)5-4-12-6-11(15)8-19-12;/h6,8,10H,4-5,7,9,16H2,1-3H3,(H,17,18);1H
InChIKeyNVQGDTRBNCIASN-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide
CID 119599230
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119599384
N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119599730
N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119499711
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119598322
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
CID 119598146
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119598374
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119523677
2-[3-(4-bromothiophen-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188027
3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846376
(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-methylbutanoic acid
CID 119368217

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride (CID 119600366) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CCc1cc(Br)cs1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
The InChIKey is NVQGDTRBNCIASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS.ClH/c1-10(2)7-14(3,9-16)17-13(18)5-4-12-6-11(15)8-19-12;/h6,8,10H,4-5,7,9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride has a molecular weight of 383.78 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119600366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).