N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane

C23H35F3N2O2 — CID 142324905

IUPACN-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane
SMILESCC.COc1cccc(C(C(=O)N(C)CCC2CC3(CCNCC3)C2)C(F)(F)F)c1
InChIInChI=1S/C21H29F3N2O2.C2H6/c1-26(11-6-15-13-20(14-15)7-9-25-10-8-20)19(27)18(21(22,23)24)16-4-3-5-17(12-16)28-2;1-2/h3-5,12,15,18,25H,6-11,13-14H2,1-2H3;1-2H3
InChIKeyYJVVAKJOQGMXKP-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.00
Rot. Bonds6

About N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane

N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane (PubChem CID 142324905) has the molecular formula C23H35F3N2O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane.

Molecular Properties

Compound NameN-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane
PubChem CID142324905
Molecular FormulaC23H35F3N2O2
Molecular Weight428.54 g/mol
Exact Mass428.27
IUPAC NameN-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane
SMILESCC.COc1cccc(C(C(=O)N(C)CCC2CC3(CCNCC3)C2)C(F)(F)F)c1
InChIInChI=1S/C21H29F3N2O2.C2H6/c1-26(11-6-15-13-20(14-15)7-9-25-10-8-20)19(27)18(21(22,23)24)16-4-3-5-17(12-16)28-2;1-2/h3-5,12,15,18,25H,6-11,13-14H2,1-2H3;1-2H3
InChIKeyYJVVAKJOQGMXKP-UHFFFAOYSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 142324962
3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide
CID 142324853
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831064
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 91768176
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
CID 142321476
2-chloro-4-[1,1-difluoro-4-[1-[3,3,3-trifluoro-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]butoxy]-N,N-dimethylbenzamide
CID 142320953
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
CID 65189932
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane?
The IUPAC name of N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane (CID 142324905) is N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane.
What is the SMILES notation for N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane?
The canonical SMILES for N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane is CC.COc1cccc(C(C(=O)N(C)CCC2CC3(CCNCC3)C2)C(F)(F)F)c1.
What is the InChIKey of N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane?
The InChIKey is YJVVAKJOQGMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O2.C2H6/c1-26(11-6-15-13-20(14-15)7-9-25-10-8-20)19(27)18(21(22,23)24)16-4-3-5-17(12-16)28-2;1-2/h3-5,12,15,18,25H,6-11,13-14H2,1-2H3;1-2H3.
What are the key properties of N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane?
N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane has a molecular weight of 428.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane is sourced from PubChem (CID 142324905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).