2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride

C14H20ClF3N2O3 — CID 119746938

IUPAC2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(C)cc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-10-3-4-11(12(7-10)22-9-14(15,16)17)19-13(20)8-18-5-6-21-2;/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,19,20);1H
InChIKeySWLQNXBYDYMDFD-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.53
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119746938) has the molecular formula C14H20ClF3N2O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
PubChem CID119746938
Molecular FormulaC14H20ClF3N2O3
Molecular Weight356.77 g/mol
Exact Mass356.11
IUPAC Name2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(C)cc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-10-3-4-11(12(7-10)22-9-14(15,16)17)19-13(20)8-18-5-6-21-2;/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,19,20);1H
InChIKeySWLQNXBYDYMDFD-UHFFFAOYSA-N
XLogP2.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.53
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

N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119785490
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119751526

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride (CID 119746938) is 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(C)cc1OCC(F)(F)F.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is SWLQNXBYDYMDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3.ClH/c1-10-3-4-11(12(7-10)22-9-14(15,16)17)19-13(20)8-18-5-6-21-2;/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 356.77 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119746938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).