2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride

C15H25ClN2O3 — CID 119753968

IUPAC2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(COC(C)C)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-12(2)20-11-13-5-4-6-14(9-13)17-15(18)10-16-7-8-19-3;/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18);1H
InChIKeyCCICOKRPTFEFML-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.21
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride (PubChem CID 119753968) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
PubChem CID119753968
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(COC(C)C)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-12(2)20-11-13-5-4-6-14(9-13)17-15(18)10-16-7-8-19-3;/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18);1H
InChIKeyCCICOKRPTFEFML-UHFFFAOYSA-N
XLogP2.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119732278
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride (CID 119753968) is 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride is COCCNCC(=O)Nc1cccc(COC(C)C)c1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride?
The InChIKey is CCICOKRPTFEFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-12(2)20-11-13-5-4-6-14(9-13)17-15(18)10-16-7-8-19-3;/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119753968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).