(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide

C16H25BrN2O2 — CID 52519987

IUPAC(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)NCC(C)C
InChIInChI=1S/C16H25BrN2O2/c1-11(2)9-18-16(20)12(3)19(4)10-13-8-14(17)6-7-15(13)21-5/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)/t12-/m0/s1
InChIKeyGJQLGWGOZBWYBJ-LBPRGKRZSA-N
MW357.29 g/mol
LogP3.05
Rot. Bonds7

About (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide

(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 52519987) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
PubChem CID52519987
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)NCC(C)C
InChIInChI=1S/C16H25BrN2O2/c1-11(2)9-18-16(20)12(3)19(4)10-13-8-14(17)6-7-15(13)21-5/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)/t12-/m0/s1
InChIKeyGJQLGWGOZBWYBJ-LBPRGKRZSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)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

(2R)-N-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]propanamide
CID 40938280
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
CID 17391982
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 18094027
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8805633
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 94015388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide (CID 52519987) is (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide is COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)NCC(C)C.
What is the InChIKey of (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is GJQLGWGOZBWYBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-11(2)9-18-16(20)12(3)19(4)10-13-8-14(17)6-7-15(13)21-5/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide?
(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 357.29 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 52519987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).