2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride

C12H25ClN2O3 — CID 120790079

IUPAC2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOCC(C)CNC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-9(8-16-2)7-14-12(15)11(13)10-3-5-17-6-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyIUXKZYGEOMYZRM-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.56
Rot. Bonds6

About 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120790079) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120790079
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Name2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOCC(C)CNC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-9(8-16-2)7-14-12(15)11(13)10-3-5-17-6-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyIUXKZYGEOMYZRM-UHFFFAOYSA-N
XLogP0.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799495
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120790079) is 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride is COCC(C)CNC(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is IUXKZYGEOMYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-9(8-16-2)7-14-12(15)11(13)10-3-5-17-6-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120790079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).