2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

C24H29F6N3O — CID 143903087

IUPAC2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNC1(C(NC2CCC(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)=C2CCC2)CC1
InChIInChI=1S/C24H29F6N3O/c25-23(26,27)16-11-17(24(28,29)30)13-19(12-16)32-20(34)10-14-4-6-18(7-5-14)33-21(15-2-1-3-15)22(31)8-9-22/h11-14,18,33H,1-10,31H2,(H,32,34)
InChIKeyGMRJVWCVGYAYAO-UHFFFAOYSA-N
MW489.50 g/mol
LogP6.13
Rot. Bonds6

About 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide

2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 143903087) has the molecular formula C24H29F6N3O and a molecular weight of 489.50 g/mol. Its IUPAC name is 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID143903087
Molecular FormulaC24H29F6N3O
Molecular Weight489.50 g/mol
Exact Mass489.22
IUPAC Name2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNC1(C(NC2CCC(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)=C2CCC2)CC1
InChIInChI=1S/C24H29F6N3O/c25-23(26,27)16-11-17(24(28,29)30)13-19(12-16)32-20(34)10-14-4-6-18(7-5-14)33-21(15-2-1-3-15)22(31)8-9-22/h11-14,18,33H,1-10,31H2,(H,32,34)
InChIKeyGMRJVWCVGYAYAO-UHFFFAOYSA-N
XLogP6.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.50
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

N-[4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]-3,4-dihydro-2H-pyrrole-5-carboxamide
CID 143903167
2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 51038641
N-[(1R,2S)-2-amino-4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]cyclohexanecarboxamide
CID 140543782
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[hydroxy-[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]cyclohexyl]acetamide
CID 162600889
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide
CID 130216413
2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate
CID 7221567
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 125120352
N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide
CID 116699598
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide
CID 88868071
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
2-[1-[(1R,2R)-2-aminocyclohexanecarbonyl]-4-hydroxypiperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 51036694
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(cyclohexylmethylimino)-3-methyl-1,3-thiazolidin-4-yl]acetamide;hydrochloride
CID 87366550

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 143903087) is 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is NC1(C(NC2CCC(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)=C2CCC2)CC1.
What is the InChIKey of 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is GMRJVWCVGYAYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F6N3O/c25-23(26,27)16-11-17(24(28,29)30)13-19(12-16)32-20(34)10-14-4-6-18(7-5-14)33-21(15-2-1-3-15)22(31)8-9-22/h11-14,18,33H,1-10,31H2,(H,32,34).
What are the key properties of 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 489.50 g/mol, XLogP of 6.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-aminocyclopropyl)-cyclobutylidenemethyl]amino]cyclohexyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 143903087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).