3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

C16H21F3N2O3 — CID 113117197

IUPAC3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOCCCN(CCC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)=O
InChIInChI=1S/C16H21F3N2O3/c1-12(22)21(9-3-11-24-2)10-8-15(23)20-14-6-4-13(5-7-14)16(17,18)19/h4-7H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyYWBAMOPNVOLRFW-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.92
Rot. Bonds8

About 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 113117197) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID113117197
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOCCCN(CCC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)=O
InChIInChI=1S/C16H21F3N2O3/c1-12(22)21(9-3-11-24-2)10-8-15(23)20-14-6-4-13(5-7-14)16(17,18)19/h4-7H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyYWBAMOPNVOLRFW-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160101
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766
3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
CID 113117060
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
CID 113160115
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
2-[acetyl(3-methoxypropyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113160139
methyl 9-oxo-9-[4-(trifluoromethyl)anilino]nonanoate
CID 2741082
methyl 2-[3-[acetyl(3-methoxypropyl)amino]propanoylamino]benzoate
CID 113117202

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 113117197) is 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is COCCCN(CCC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YWBAMOPNVOLRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-12(22)21(9-3-11-24-2)10-8-15(23)20-14-6-4-13(5-7-14)16(17,18)19/h4-7H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 346.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113117197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).