2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C21H29Cl2N3O4 — CID 120797991

IUPAC2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)C(N)C2CCOCC2)cn1.Cl.Cl
InChIInChI=1S/C21H27N3O4.2ClH/c1-2-27-17-5-3-4-6-18(17)28-19-8-7-15(13-23-19)14-24-21(25)20(22)16-9-11-26-12-10-16;;/h3-8,13,16,20H,2,9-12,14,22H2,1H3,(H,24,25);2*1H
InChIKeyUBRVWXLFEWZYCU-UHFFFAOYSA-N
MW458.39 g/mol
LogP3.49
Rot. Bonds8

About 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120797991) has the molecular formula C21H29Cl2N3O4 and a molecular weight of 458.39 g/mol. Its IUPAC name is 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120797991
Molecular FormulaC21H29Cl2N3O4
Molecular Weight458.39 g/mol
Exact Mass457.15
IUPAC Name2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)C(N)C2CCOCC2)cn1.Cl.Cl
InChIInChI=1S/C21H27N3O4.2ClH/c1-2-27-17-5-3-4-6-18(17)28-19-8-7-15(13-23-19)14-24-21(25)20(22)16-9-11-26-12-10-16;;/h3-8,13,16,20H,2,9-12,14,22H2,1H3,(H,24,25);2*1H
InChIKeyUBRVWXLFEWZYCU-UHFFFAOYSA-N
XLogP3.49
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799429
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120792906
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801593
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801577
2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120790520
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120797991) is 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is CCOc1ccccc1Oc1ccc(CNC(=O)C(N)C2CCOCC2)cn1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is UBRVWXLFEWZYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.2ClH/c1-2-27-17-5-3-4-6-18(17)28-19-8-7-15(13-23-19)14-24-21(25)20(22)16-9-11-26-12-10-16;;/h3-8,13,16,20H,2,9-12,14,22H2,1H3,(H,24,25);2*1H.
What are the key properties of 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 458.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120797991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).