N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide

C16H25BrN2O — CID 119586699

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide
SMILESCc1cc(CCC(=O)NC(CN)CC(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)8-14(10-18)19-16(20)7-5-13-4-6-15(17)12(3)9-13/h4,6,9,11,14H,5,7-8,10,18H2,1-3H3,(H,19,20)
InChIKeyHKOGKXBOAXAWLJ-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.18
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide

N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide (PubChem CID 119586699) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide
PubChem CID119586699
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide
SMILESCc1cc(CCC(=O)NC(CN)CC(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)8-14(10-18)19-16(20)7-5-13-4-6-15(17)12(3)9-13/h4,6,9,11,14H,5,7-8,10,18H2,1-3H3,(H,19,20)
InChIKeyHKOGKXBOAXAWLJ-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896
3-(4-bromo-3-methylphenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
CID 96570209
3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119501581
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
4-[3-(4-bromo-3-methylphenyl)propanoylamino]butanoic acid
CID 167842148
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 119587844
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide (CID 119586699) is N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide is Cc1cc(CCC(=O)NC(CN)CC(C)C)ccc1Br.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide?
The InChIKey is HKOGKXBOAXAWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(2)8-14(10-18)19-16(20)7-5-13-4-6-15(17)12(3)9-13/h4,6,9,11,14H,5,7-8,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide?
N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide has a molecular weight of 341.29 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide is sourced from PubChem (CID 119586699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).