3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

C19H21F3N2O3 — CID 109031142

IUPAC3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(OCCNCCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-26-14-6-8-15(9-7-14)27-13-12-23-11-10-18(25)24-17-5-3-2-4-16(17)19(20,21)22/h2-9,23H,10-13H2,1H3,(H,24,25)
InChIKeyDBLVWOBUPFYJRK-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.71
Rot. Bonds9

About 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109031142) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109031142
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(OCCNCCC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O3/c1-26-14-6-8-15(9-7-14)27-13-12-23-11-10-18(25)24-17-5-3-2-4-16(17)19(20,21)22/h2-9,23H,10-13H2,1H3,(H,24,25)
InChIKeyDBLVWOBUPFYJRK-UHFFFAOYSA-N
XLogP3.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.71
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-(2-chlorophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031126
N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031154
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8503379
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031043
1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 83036718

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109031142) is 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is COc1ccc(OCCNCCC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DBLVWOBUPFYJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-26-14-6-8-15(9-7-14)27-13-12-23-11-10-18(25)24-17-5-3-2-4-16(17)19(20,21)22/h2-9,23H,10-13H2,1H3,(H,24,25).
What are the key properties of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 382.38 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109031142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).