N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide

C24H27F3N2O2 — CID 42698837

IUPACN-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCN(CCC(=O)NC1CCCc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N2O2/c1-2-14-29(23(31)18-9-5-10-19(16-18)24(25,26)27)15-13-22(30)28-21-12-6-8-17-7-3-4-11-20(17)21/h3-5,7,9-11,16,21H,2,6,8,12-15H2,1H3,(H,28,30)
InChIKeyOBLLTHLZZQTFFF-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.14
Rot. Bonds7

About N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide

N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide (PubChem CID 42698837) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide
PubChem CID42698837
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCN(CCC(=O)NC1CCCc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N2O2/c1-2-14-29(23(31)18-9-5-10-19(16-18)24(25,26)27)15-13-22(30)28-21-12-6-8-17-7-3-4-11-20(17)21/h3-5,7,9-11,16,21H,2,6,8,12-15H2,1H3,(H,28,30)
InChIKeyOBLLTHLZZQTFFF-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4517212
3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42698686
3-[2-hydroxyethyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110892171
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 69349407
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 41144264
3-[methyl(2-methylsulfanylethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71855495
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-bromobenzoate
CID 2363460

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide (CID 42698837) is N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide is CCCN(CCC(=O)NC1CCCc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is OBLLTHLZZQTFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-2-14-29(23(31)18-9-5-10-19(16-18)24(25,26)27)15-13-22(30)28-21-12-6-8-17-7-3-4-11-20(17)21/h3-5,7,9-11,16,21H,2,6,8,12-15H2,1H3,(H,28,30).
What are the key properties of N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide?
N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 432.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42698837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).