N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

C14H19F3N2O2 — CID 115592418

IUPACN-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCOCCNC(=O)CCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-21-8-7-19-13(20)5-6-18-10-11-3-2-4-12(9-11)14(15,16)17/h2-4,9,18H,5-8,10H2,1H3,(H,19,20)
InChIKeyQBSKDWPVILUTLP-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.95
Rot. Bonds8

About N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (PubChem CID 115592418) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
PubChem CID115592418
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCOCCNC(=O)CCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-21-8-7-19-13(20)5-6-18-10-11-3-2-4-12(9-11)14(15,16)17/h2-4,9,18H,5-8,10H2,1H3,(H,19,20)
InChIKeyQBSKDWPVILUTLP-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (CID 115592418) is N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is COCCNC(=O)CCNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The InChIKey is QBSKDWPVILUTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-21-8-7-19-13(20)5-6-18-10-11-3-2-4-12(9-11)14(15,16)17/h2-4,9,18H,5-8,10H2,1H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide has a molecular weight of 304.31 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 115592418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).