2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide

C15H22F3N3O2 — CID 119893578

IUPAC2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCNc1ccc(C(F)(F)F)cc1NC(=O)CNCCOC
InChIInChI=1S/C15H22F3N3O2/c1-3-6-20-12-5-4-11(15(16,17)18)9-13(12)21-14(22)10-19-7-8-23-2/h4-5,9,19-20H,3,6-8,10H2,1-2H3,(H,21,22)
InChIKeyCJXOEJPUNWUWTQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.70
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide

2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 119893578) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID119893578
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCNc1ccc(C(F)(F)F)cc1NC(=O)CNCCOC
InChIInChI=1S/C15H22F3N3O2/c1-3-6-20-12-5-4-11(15(16,17)18)9-13(12)21-14(22)10-19-7-8-23-2/h4-5,9,19-20H,3,6-8,10H2,1-2H3,(H,21,22)
InChIKeyCJXOEJPUNWUWTQ-UHFFFAOYSA-N
XLogP2.70
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119290968
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757138
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119785490
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide (CID 119893578) is 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide is CCCNc1ccc(C(F)(F)F)cc1NC(=O)CNCCOC.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CJXOEJPUNWUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-3-6-20-12-5-4-11(15(16,17)18)9-13(12)21-14(22)10-19-7-8-23-2/h4-5,9,19-20H,3,6-8,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 333.35 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119893578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).