2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide

C12H17BrN2O2 — CID 81359920

IUPAC2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O2/c1-8(9-3-5-10(13)6-4-9)15-12(16)11(14)7-17-2/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyGSQLALUHUDCILO-YMNIQAILSA-N
MW301.18 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide

2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide (PubChem CID 81359920) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
PubChem CID81359920
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O2/c1-8(9-3-5-10(13)6-4-9)15-12(16)11(14)7-17-2/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyGSQLALUHUDCILO-YMNIQAILSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide 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

2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide
CID 120989080
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide (CID 81359920) is 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide is COCC(N)C(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide?
The InChIKey is GSQLALUHUDCILO-YMNIQAILSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(9-3-5-10(13)6-4-9)15-12(16)11(14)7-17-2/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide?
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide has a molecular weight of 301.18 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 81359920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).