2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride

C13H28ClN3O3 — CID 119729876

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(CCOC)CC(=O)N(C)C.Cl
InChIInChI=1S/C13H27N3O3.ClH/c1-6-7-13(2,14)12(18)16(8-9-19-5)10-11(17)15(3)4;/h6-10,14H2,1-5H3;1H
InChIKeyWZSXZYCPJPOBOF-UHFFFAOYSA-N
MW309.84 g/mol
LogP0.49
Rot. Bonds8

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride (PubChem CID 119729876) has the molecular formula C13H28ClN3O3 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride
PubChem CID119729876
Molecular FormulaC13H28ClN3O3
Molecular Weight309.84 g/mol
Exact Mass309.18
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(CCOC)CC(=O)N(C)C.Cl
InChIInChI=1S/C13H27N3O3.ClH/c1-6-7-13(2,14)12(18)16(8-9-19-5)10-11(17)15(3)4;/h6-10,14H2,1-5H3;1H
InChIKeyWZSXZYCPJPOBOF-UHFFFAOYSA-N
XLogP0.49
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride (CID 119729876) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)N(CCOC)CC(=O)N(C)C.Cl.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride?
The InChIKey is WZSXZYCPJPOBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3.ClH/c1-6-7-13(2,14)12(18)16(8-9-19-5)10-11(17)15(3)4;/h6-10,14H2,1-5H3;1H.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119729876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).