N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide

C12H17BrN2O2 — CID 119819617

IUPACN-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C12H17BrN2O2/c1-8(2)17-11-5-9(13)4-10(6-11)15-12(16)7-14-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyUKJIPXZKSBFKRH-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.39
Rot. Bonds5

About N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide

N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide (PubChem CID 119819617) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
PubChem CID119819617
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C12H17BrN2O2/c1-8(2)17-11-5-9(13)4-10(6-11)15-12(16)7-14-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyUKJIPXZKSBFKRH-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
CID 119344118
3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 71986327
N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 119344106
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
(2S)-2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119344109
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
CID 120796352
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride
CID 120594284
N-(3-bromo-5-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82868476
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
CID 119819637
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide (CID 119819617) is N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1cc(Br)cc(OC(C)C)c1.
What is the InChIKey of N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide?
The InChIKey is UKJIPXZKSBFKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(2)17-11-5-9(13)4-10(6-11)15-12(16)7-14-3/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide?
N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide has a molecular weight of 301.18 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 119819617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).