(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide

C18H21BrN2O2 — CID 119335617

IUPAC(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
SMILESCC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1ccccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-13(23-17-10-6-5-9-15(17)19)12-21-18(22)16(20)11-14-7-3-2-4-8-14/h2-10,13,16H,11-12,20H2,1H3,(H,21,22)/t13?,16-/m0/s1
InChIKeyCKQLDWMOZWERMV-VYIIXAMBSA-N
MW377.28 g/mol
LogP2.90
Rot. Bonds7

About (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide (PubChem CID 119335617) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
PubChem CID119335617
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
SMILESCC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1ccccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-13(23-17-10-6-5-9-15(17)19)12-21-18(22)16(20)11-14-7-3-2-4-8-14/h2-10,13,16H,11-12,20H2,1H3,(H,21,22)/t13?,16-/m0/s1
InChIKeyCKQLDWMOZWERMV-VYIIXAMBSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119952093
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide (CID 119335617) is (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide is CC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1ccccc1Br.
What is the InChIKey of (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
The InChIKey is CKQLDWMOZWERMV-VYIIXAMBSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13(23-17-10-6-5-9-15(17)19)12-21-18(22)16(20)11-14-7-3-2-4-8-14/h2-10,13,16H,11-12,20H2,1H3,(H,21,22)/t13?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide has a molecular weight of 377.28 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119335617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).