2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C20H30Cl2N2O4 — CID 120789809

About 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120789809) has the molecular formula C20H30Cl2N2O4 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
• PubChem CID: 120789809
• Molecular Formula: C20H30Cl2N2O4
• Molecular Weight: 433.38 g/mol
• Exact Mass: 432.16
• IUPAC Name: 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
• SMILES: COc1ccc(Cl)cc1C1(CNC(=O)C(N)C2CCOCC2)CCOCC1.Cl
• InChI: InChI=1S/C20H29ClN2O4.ClH/c1-25-17-3-2-15(21)12-16(17)20(6-10-27-11-7-20)13-23-19(24)18(22)14-4-8-26-9-5-14;/h2-3,12,14,18H,4-11,13,22H2,1H3,(H,23,24);1H
• InChIKey: JUORLXFMPYLICH-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 82.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.38
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?

The IUPAC name of 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120789809) is 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?

The canonical SMILES for 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is COc1ccc(Cl)cc1C1(CNC(=O)C(N)C2CCOCC2)CCOCC1.Cl.

What is the InChIKey of 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?

The InChIKey is JUORLXFMPYLICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O4.ClH/c1-25-17-3-2-15(21)12-16(17)20(6-10-27-11-7-20)13-23-19(24)18(22)14-4-8-26-9-5-14;/h2-3,12,14,18H,4-11,13,22H2,1H3,(H,23,24);1H.

What are the key properties of 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?

2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 433.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120789809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).