2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride

C16H24BrClN2O3 — CID 120795023

IUPAC2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(CNC(=O)C(N)C1CCOCC1)Oc1ccccc1Br.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-11(22-14-5-3-2-4-13(14)17)10-19-16(20)15(18)12-6-8-21-9-7-12;/h2-5,11-12,15H,6-10,18H2,1H3,(H,19,20);1H
InChIKeyNCKCCPSDOZKXQY-UHFFFAOYSA-N
MW407.74 g/mol
LogP2.51
Rot. Bonds6

About 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120795023) has the molecular formula C16H24BrClN2O3 and a molecular weight of 407.74 g/mol. Its IUPAC name is 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120795023
Molecular FormulaC16H24BrClN2O3
Molecular Weight407.74 g/mol
Exact Mass406.07
IUPAC Name2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(CNC(=O)C(N)C1CCOCC1)Oc1ccccc1Br.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-11(22-14-5-3-2-4-13(14)17)10-19-16(20)15(18)12-6-8-21-9-7-12;/h2-5,11-12,15H,6-10,18H2,1H3,(H,19,20);1H
InChIKeyNCKCCPSDOZKXQY-UHFFFAOYSA-N
XLogP2.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788733
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120795023) is 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride is CC(CNC(=O)C(N)C1CCOCC1)Oc1ccccc1Br.Cl.
What is the InChIKey of 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is NCKCCPSDOZKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3.ClH/c1-11(22-14-5-3-2-4-13(14)17)10-19-16(20)15(18)12-6-8-21-9-7-12;/h2-5,11-12,15H,6-10,18H2,1H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 407.74 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120795023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).