2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide

C14H19BrN2O3 — CID 94662462

IUPAC2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide
SMILESCc1ccc(O[C@H](C)C(=O)NC(C)(C)C(N)=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-8-5-6-11(10(15)7-8)20-9(2)12(18)17-14(3,4)13(16)19/h5-7,9H,1-4H3,(H2,16,19)(H,17,18)/t9-/m1/s1
InChIKeyMREMKZKUYVXQQN-SECBINFHSA-N
MW343.22 g/mol
LogP1.90
Rot. Bonds5

About 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide

2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide (PubChem CID 94662462) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide
PubChem CID94662462
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide
SMILESCc1ccc(O[C@H](C)C(=O)NC(C)(C)C(N)=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-8-5-6-11(10(15)7-8)20-9(2)12(18)17-14(3,4)13(16)19/h5-7,9H,1-4H3,(H2,16,19)(H,17,18)/t9-/m1/s1
InChIKeyMREMKZKUYVXQQN-SECBINFHSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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)propanehydrazide
CID 2789718
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide
CID 55784977
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119522994

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide (CID 94662462) is 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide is Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C(N)=O)c(Br)c1.
What is the InChIKey of 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide?
The InChIKey is MREMKZKUYVXQQN-SECBINFHSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-8-5-6-11(10(15)7-8)20-9(2)12(18)17-14(3,4)13(16)19/h5-7,9H,1-4H3,(H2,16,19)(H,17,18)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide?
2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide has a molecular weight of 343.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide is sourced from PubChem (CID 94662462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).