N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C22H30F3N3O3 — CID 69225263

IUPACN-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOCC1C(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC2CN(C(C)C)CC21
InChIInChI=1S/C22H30F3N3O3/c1-13(2)28-10-15-8-19(18(12-31-3)17(15)11-28)27-20(29)9-26-21(30)14-5-4-6-16(7-14)22(23,24)25/h4-7,13,15,17-19H,8-12H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyNIWJSXQAUFTXRH-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.54
Rot. Bonds7

About N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69225263) has the molecular formula C22H30F3N3O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID69225263
Molecular FormulaC22H30F3N3O3
Molecular Weight441.49 g/mol
Exact Mass441.22
IUPAC NameN-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOCC1C(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC2CN(C(C)C)CC21
InChIInChI=1S/C22H30F3N3O3/c1-13(2)28-10-15-8-19(18(12-31-3)17(15)11-28)27-20(29)9-26-21(30)14-5-4-6-16(7-14)22(23,24)25/h4-7,13,15,17-19H,8-12H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyNIWJSXQAUFTXRH-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

tert-butyl (3S,4S)-3-hydroxy-4-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidine-1-carboxylate
CID 59556090
N-[2-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556091
N-tert-butyl-N-[(1R,3R,4S)-3-[(1S)-1-hydroxy-2-methylpropyl]-4-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]cyclohexyl]carbamate
CID 86596958
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-[2-oxo-2-[[2-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 22143232
N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 24801692
N-[2-[[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69285531
N-[2-[[(1S,2S)-4-fluoro-2-(propan-2-ylsulfonylmethyl)cyclohex-3-en-1-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69287255
3-prop-2-enoxy-4-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidine-1-carboxylic acid
CID 77190361
N-[2-[[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 508741
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[2-oxo-2-[[(1S,2R,4R)-4-(propan-2-ylamino)-2-(propan-2-ylsulfonylmethyl)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 69286099

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 69225263) is N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is COCC1C(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC2CN(C(C)C)CC21.
What is the InChIKey of N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NIWJSXQAUFTXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O3/c1-13(2)28-10-15-8-19(18(12-31-3)17(15)11-28)27-20(29)9-26-21(30)14-5-4-6-16(7-14)22(23,24)25/h4-7,13,15,17-19H,8-12H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 441.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methoxymethyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69225263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).