(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide

C12H17BrN2O — CID 8643345

IUPAC(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
SMILESCC[C@@H](N[C@@H](C)C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-11(15-8(2)12(14)16)9-4-6-10(13)7-5-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11+/m0/s1
InChIKeyAIZDODCAHHUJLQ-GZMMTYOYSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide

(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide (PubChem CID 8643345) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
PubChem CID8643345
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
SMILESCC[C@@H](N[C@@H](C)C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-11(15-8(2)12(14)16)9-4-6-10(13)7-5-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11+/m0/s1
InChIKeyAIZDODCAHHUJLQ-GZMMTYOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
methyl 2-[1-(4-bromophenyl)propylamino]butanoate
CID 115352622
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
2-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 43545377
2-(1-phenylbutylamino)propanamide
CID 43401102
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542
N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide?
The IUPAC name of (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide (CID 8643345) is (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide is CC[C@@H](N[C@@H](C)C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide?
The InChIKey is AIZDODCAHHUJLQ-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-11(15-8(2)12(14)16)9-4-6-10(13)7-5-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11+/m0/s1.
What are the key properties of (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide?
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide has a molecular weight of 285.19 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide is sourced from PubChem (CID 8643345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).