2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride

C21H27ClN2O3 — CID 120791363

IUPAC2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccccc1Oc1ccccc1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15(23-21(24)20(22)16-11-13-25-14-12-16)18-9-5-6-10-19(18)26-17-7-3-2-4-8-17;/h2-10,15-16,20H,11-14,22H2,1H3,(H,23,24);1H
InChIKeyUUTGSYAKKICGNM-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.83
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 120791363) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID120791363
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccccc1Oc1ccccc1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15(23-21(24)20(22)16-11-13-25-14-12-16)18-9-5-6-10-19(18)26-17-7-3-2-4-8-17;/h2-10,15-16,20H,11-14,22H2,1H3,(H,23,24);1H
InChIKeyUUTGSYAKKICGNM-UHFFFAOYSA-N
XLogP3.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787967
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795647
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793021
2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
CID 120790257

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride (CID 120791363) is 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride is CC(NC(=O)C(N)C1CCOCC1)c1ccccc1Oc1ccccc1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is UUTGSYAKKICGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-15(23-21(24)20(22)16-11-13-25-14-12-16)18-9-5-6-10-19(18)26-17-7-3-2-4-8-17;/h2-10,15-16,20H,11-14,22H2,1H3,(H,23,24);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120791363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).