2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide

C14H21BrN2O2 — CID 119344118

IUPAC2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C14H21BrN2O2/c1-4-5-13(16)14(18)17-11-6-10(15)7-12(8-11)19-9(2)3/h6-9,13H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyMFEKCMBVAZAHKC-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.30
Rot. Bonds6

About 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide

2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide (PubChem CID 119344118) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
PubChem CID119344118
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C14H21BrN2O2/c1-4-5-13(16)14(18)17-11-6-10(15)7-12(8-11)19-9(2)3/h6-9,13H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyMFEKCMBVAZAHKC-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119344109
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
CID 120796352
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
CID 119819617
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 71986327
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
(2S)-2-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbutanamide
CID 82868308
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide?
The IUPAC name of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide (CID 119344118) is 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide is CCCC(N)C(=O)Nc1cc(Br)cc(OC(C)C)c1.
What is the InChIKey of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide?
The InChIKey is MFEKCMBVAZAHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-5-13(16)14(18)17-11-6-10(15)7-12(8-11)19-9(2)3/h6-9,13H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide?
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide has a molecular weight of 329.24 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide is sourced from PubChem (CID 119344118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).