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

C16H20F3N3O2 — CID 60524200

IUPAC2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C1CC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O2/c1-10(11-4-3-5-12(8-11)16(17,18)19)22(13-6-7-13)9-14(23)21-15(24)20-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,20,21,23,24)
InChIKeyPZSPUNICXLSVNS-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.69
Rot. Bonds5

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

2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide (PubChem CID 60524200) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide
PubChem CID60524200
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C1CC1)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O2/c1-10(11-4-3-5-12(8-11)16(17,18)19)22(13-6-7-13)9-14(23)21-15(24)20-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,20,21,23,24)
InChIKeyPZSPUNICXLSVNS-UHFFFAOYSA-N
XLogP2.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 55861033
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
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60524322
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
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
5-[[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 60524410
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
CID 66183131
4-[3-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 60568162

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide (CID 60524200) is 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide is 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-(methylcarbamoyl)acetamide?
The InChIKey is PZSPUNICXLSVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(11-4-3-5-12(8-11)16(17,18)19)22(13-6-7-13)9-14(23)21-15(24)20-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide?
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.69, 5 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-(methylcarbamoyl)acetamide is sourced from PubChem (CID 60524200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).