3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C24H28F3N3O2 — CID 4517212

IUPAC3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCCCN(CCC(=O)NC1CCCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H28F3N3O2/c1-2-14-30(23(32)28-19-10-6-9-18(16-19)24(25,26)27)15-13-22(31)29-21-12-5-8-17-7-3-4-11-20(17)21/h3-4,6-7,9-11,16,21H,2,5,8,12-15H2,1H3,(H,28,32)(H,29,31)
InChIKeyMQUIEMYLFCEKEX-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.53
Rot. Bonds7

About 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 4517212) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID4517212
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCCCN(CCC(=O)NC1CCCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H28F3N3O2/c1-2-14-30(23(32)28-19-10-6-9-18(16-19)24(25,26)27)15-13-22(31)29-21-12-5-8-17-7-3-4-11-20(17)21/h3-4,6-7,9-11,16,21H,2,5,8,12-15H2,1H3,(H,28,32)(H,29,31)
InChIKeyMQUIEMYLFCEKEX-UHFFFAOYSA-N
XLogP5.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 42698837
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
1-(2-aminoethyl)-1-propyl-3-[3-(trifluoromethyl)phenyl]urea
CID 61349730
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-[[(2R)-butan-2-yl]-[(4-ethylphenyl)carbamoyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7296289
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-[methyl(2-methylsulfanylethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71855495
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7332974
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CID 113123127

Frequently Asked Questions

What is the IUPAC name of 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 4517212) is 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CCCN(CCC(=O)NC1CCCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is MQUIEMYLFCEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-2-14-30(23(32)28-19-10-6-9-18(16-19)24(25,26)27)15-13-22(31)29-21-12-5-8-17-7-3-4-11-20(17)21/h3-4,6-7,9-11,16,21H,2,5,8,12-15H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 447.50 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 4517212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).