(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide

C14H21BrN2O2 — CID 93367597

IUPAC(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-4-13(16)14(18)17(2)9-10-19-12-7-5-11(15)6-8-12/h5-8,13H,3-4,9-10,16H2,1-2H3/t13-/m0/s1
InChIKeyUUQGDOOZCWUTLU-ZDUSSCGKSA-N
MW329.24 g/mol
LogP2.41
Rot. Bonds7

About (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide

(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide (PubChem CID 93367597) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
PubChem CID93367597
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-4-13(16)14(18)17(2)9-10-19-12-7-5-11(15)6-8-12/h5-8,13H,3-4,9-10,16H2,1-2H3/t13-/m0/s1
InChIKeyUUQGDOOZCWUTLU-ZDUSSCGKSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
CID 119344793
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 86909753
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide (CID 93367597) is (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)CCOc1ccc(Br)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide?
The InChIKey is UUQGDOOZCWUTLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-4-13(16)14(18)17(2)9-10-19-12-7-5-11(15)6-8-12/h5-8,13H,3-4,9-10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide?
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide has a molecular weight of 329.24 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide is sourced from PubChem (CID 93367597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).