N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide

C13H19BrN2O2 — CID 120508965

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N[C@@H](C)CN)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-8-4-5-12(11(14)6-8)18-10(3)13(17)16-9(2)7-15/h4-6,9-10H,7,15H2,1-3H3,(H,16,17)/t9-,10?/m0/s1
InChIKeyPWAJKDBASGRGDF-RGURZIINSA-N
MW315.21 g/mol
LogP1.99
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide

N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide (PubChem CID 120508965) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
PubChem CID120508965
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N[C@@H](C)CN)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-8-4-5-12(11(14)6-8)18-10(3)13(17)16-9(2)7-15/h4-6,9-10H,7,15H2,1-3H3,(H,16,17)/t9-,10?/m0/s1
InChIKeyPWAJKDBASGRGDF-RGURZIINSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 120507180
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119606088
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide
CID 94662462
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide (CID 120508965) is N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)N[C@@H](C)CN)c(Br)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide?
The InChIKey is PWAJKDBASGRGDF-RGURZIINSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8-4-5-12(11(14)6-8)18-10(3)13(17)16-9(2)7-15/h4-6,9-10H,7,15H2,1-3H3,(H,16,17)/t9-,10?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide?
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide has a molecular weight of 315.21 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide is sourced from PubChem (CID 120508965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).