(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide

C11H15BrN2O2 — CID 61147133

IUPAC(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)[C@H](C)N
InChIInChI=1S/C11H15BrN2O2/c1-6-4-8(12)5-9(16-3)10(6)14-11(15)7(2)13/h4-5,7H,13H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeyXAYSFGNKUYCCEI-ZETCQYMHSA-N
MW287.16 g/mol
LogP2.05
Rot. Bonds3

About (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide

(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide (PubChem CID 61147133) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
PubChem CID61147133
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)[C@H](C)N
InChIInChI=1S/C11H15BrN2O2/c1-6-4-8(12)5-9(16-3)10(6)14-11(15)7(2)13/h4-5,7H,13H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeyXAYSFGNKUYCCEI-ZETCQYMHSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
CID 115294122
2-amino-3-(2,4-dimethoxy-6-methylanilino)-3-oxopropanoic acid
CID 115179144
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
CID 66009992
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60934499
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
CID 81172402

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide (CID 61147133) is (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide is COc1cc(Br)cc(C)c1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide?
The InChIKey is XAYSFGNKUYCCEI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-6-4-8(12)5-9(16-3)10(6)14-11(15)7(2)13/h4-5,7H,13H2,1-3H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide?
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide has a molecular weight of 287.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide is sourced from PubChem (CID 61147133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).