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

C21H27ClN2O3 — CID 120795647

IUPAC2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)c(Oc2ccccc2)c1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15-7-8-17(19(13-15)26-18-5-3-2-4-6-18)14-23-21(24)20(22)16-9-11-25-12-10-16;/h2-8,13,16,20H,9-12,14,22H2,1H3,(H,23,24);1H
InChIKeyVQTXRMKTRZQGTK-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.58
Rot. Bonds6

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

2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120795647) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120795647
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)c(Oc2ccccc2)c1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15-7-8-17(19(13-15)26-18-5-3-2-4-6-18)14-23-21(24)20(22)16-9-11-25-12-10-16;/h2-8,13,16,20H,9-12,14,22H2,1H3,(H,23,24);1H
InChIKeyVQTXRMKTRZQGTK-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
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-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795652
2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801276
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788733
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120795647) is 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cc1ccc(CNC(=O)C(N)C2CCOCC2)c(Oc2ccccc2)c1.Cl.
What is the InChIKey of 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is VQTXRMKTRZQGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-15-7-8-17(19(13-15)26-18-5-3-2-4-6-18)14-23-21(24)20(22)16-9-11-25-12-10-16;/h2-8,13,16,20H,9-12,14,22H2,1H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120795647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).