N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C17H27ClN2O3 — CID 119681545

IUPACN-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCOCCN(Cc1ccccc1)C(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-11-9-19(14-15-6-3-2-4-7-15)17(20)13-18-12-16-8-5-10-22-16;/h2-4,6-7,16,18H,5,8-14H2,1H3;1H
InChIKeyRJXJQUOXOZRMRK-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.85
Rot. Bonds9

About N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119681545) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119681545
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCOCCN(Cc1ccccc1)C(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-11-9-19(14-15-6-3-2-4-7-15)17(20)13-18-12-16-8-5-10-22-16;/h2-4,6-7,16,18H,5,8-14H2,1H3;1H
InChIKeyRJXJQUOXOZRMRK-UHFFFAOYSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 119691200
N-benzyl-2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 7264489
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 42852868
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
N-benzyl-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119681638
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119681545) is N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is COCCN(Cc1ccccc1)C(=O)CNCC1CCCO1.Cl.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is RJXJQUOXOZRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-21-11-9-19(14-15-6-3-2-4-7-15)17(20)13-18-12-16-8-5-10-22-16;/h2-4,6-7,16,18H,5,8-14H2,1H3;1H.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119681545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).