2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide

C16H23BrN2O3 — CID 120796352

IUPAC2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C16H23BrN2O3/c1-10(2)22-14-8-12(17)7-13(9-14)19-16(20)15(18)11-3-5-21-6-4-11/h7-11,15H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyZTTHFXVBLQFQMY-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 120796352) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
PubChem CID120796352
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C16H23BrN2O3/c1-10(2)22-14-8-12(17)7-13(9-14)19-16(20)15(18)11-3-5-21-6-4-11/h7-11,15H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyZTTHFXVBLQFQMY-UHFFFAOYSA-N
XLogP2.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
CID 119344118
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 119344106
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
(2S)-2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119344109
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
CID 119819637
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide (CID 120796352) is 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide is CC(C)Oc1cc(Br)cc(NC(=O)C(N)C2CCOCC2)c1.
What is the InChIKey of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is ZTTHFXVBLQFQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-10(2)22-14-8-12(17)7-13(9-14)19-16(20)15(18)11-3-5-21-6-4-11/h7-11,15H,3-6,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 371.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120796352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).