N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C13H29ClN2O2 — CID 119796579

IUPACN-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)CCC(C)(C)C.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-11(6-7-13(2,3)4)15-12(16)10-14-8-9-17-5;/h11,14H,6-10H2,1-5H3,(H,15,16);1H
InChIKeyYNIJPHGQCSBWAX-UHFFFAOYSA-N
MW280.84 g/mol
LogP1.98
Rot. Bonds8

About N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119796579) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119796579
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC NameN-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)CCC(C)(C)C.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-11(6-7-13(2,3)4)15-12(16)10-14-8-9-17-5;/h11,14H,6-10H2,1-5H3,(H,15,16);1H
InChIKeyYNIJPHGQCSBWAX-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119784608
N-butan-2-yl-2-[[2-(2-methoxyethylamino)acetyl]amino]propanamide;hydrochloride
CID 119756312
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
CID 79282260
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119803026
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774161
2-(2-methoxyethylamino)-N-(2-methylpentan-2-yl)acetamide
CID 115738896
2-(cyclopropylmethylamino)-N-(4-methoxybutan-2-yl)acetamide
CID 64606071
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119796579) is N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(C)CCC(C)(C)C.Cl.
What is the InChIKey of N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is YNIJPHGQCSBWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.ClH/c1-11(6-7-13(2,3)4)15-12(16)10-14-8-9-17-5;/h11,14H,6-10H2,1-5H3,(H,15,16);1H.
What are the key properties of N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119796579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).