2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide

C19H26F3N3O2 — CID 55861033

IUPAC2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C1CC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N3O2/c1-12(2)10-23-18(27)24-17(26)11-25(16-7-8-16)13(3)14-5-4-6-15(9-14)19(20,21)22/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H2,23,24,26,27)
InChIKeyPVNVHIGZJASFGR-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.71
Rot. Bonds7

About 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide

2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 55861033) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID55861033
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C1CC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N3O2/c1-12(2)10-23-18(27)24-17(26)11-25(16-7-8-16)13(3)14-5-4-6-15(9-14)19(20,21)22/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H2,23,24,26,27)
InChIKeyPVNVHIGZJASFGR-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 60524200
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60524322
N-tert-butyl-2-[[2-[cyclopropyl-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736270
N-tert-butyl-2-[[2-[cyclopropyl-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736272
methyl 3-[[2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 60524144
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 60568133
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 71684957
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
N-(2-cyanophenyl)-3-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]propanamide
CID 56525313
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
N-(2-methylpropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547713
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
CID 66183131

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide (CID 55861033) is 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN(C1CC1)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is PVNVHIGZJASFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-12(2)10-23-18(27)24-17(26)11-25(16-7-8-16)13(3)14-5-4-6-15(9-14)19(20,21)22/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H2,23,24,26,27).
What are the key properties of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 385.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 55861033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).