2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C13H29Cl2N3O3 — CID 120799495

IUPAC2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCOCCN(C)CCNC(=O)C(N)C1CCOCC1.Cl.Cl
InChIInChI=1S/C13H27N3O3.2ClH/c1-16(7-10-18-2)6-5-15-13(17)12(14)11-3-8-19-9-4-11;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H
InChIKeyJGNRETRZFLOYTF-UHFFFAOYSA-N
MW346.30 g/mol
LogP0.28
Rot. Bonds8

About 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120799495) has the molecular formula C13H29Cl2N3O3 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120799495
Molecular FormulaC13H29Cl2N3O3
Molecular Weight346.30 g/mol
Exact Mass345.16
IUPAC Name2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCOCCN(C)CCNC(=O)C(N)C1CCOCC1.Cl.Cl
InChIInChI=1S/C13H27N3O3.2ClH/c1-16(7-10-18-2)6-5-15-13(17)12(14)11-3-8-19-9-4-11;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H
InChIKeyJGNRETRZFLOYTF-UHFFFAOYSA-N
XLogP0.28
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790079
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
2-amino-N',N'-dimethyl-2-(oxan-4-yl)acetohydrazide
CID 116849875
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide
CID 113280761
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120788034
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120799495) is 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is COCCN(C)CCNC(=O)C(N)C1CCOCC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is JGNRETRZFLOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3.2ClH/c1-16(7-10-18-2)6-5-15-13(17)12(14)11-3-8-19-9-4-11;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120799495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).