2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride

C13H27ClN2O2 — CID 120794307

IUPAC2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)C(C)CNC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-9(2)10(3)8-15-13(16)12(14)11-4-6-17-7-5-11;/h9-12H,4-8,14H2,1-3H3,(H,15,16);1H
InChIKeyOUCKWXNPVUYIHB-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120794307) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120794307
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)C(C)CNC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-9(2)10(3)8-15-13(16)12(14)11-4-6-17-7-5-11;/h9-12H,4-8,14H2,1-3H3,(H,15,16);1H
InChIKeyOUCKWXNPVUYIHB-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790079
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(3-methylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783425
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
CID 120789495
2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
CID 120795689

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120794307) is 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride is CC(C)C(C)CNC(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is OUCKWXNPVUYIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-9(2)10(3)8-15-13(16)12(14)11-4-6-17-7-5-11;/h9-12H,4-8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120794307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).