N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide

C24H33F6N5O5 — CID 167482308

IUPACN-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide
SMILESCC(OC(F)(F)F)C(NC(=O)C(F)(F)F)C(=O)N1CC(C)(C)C(C)C1C(=O)NC(C#N)CC1CC(C)(C)NC1=O
InChIInChI=1S/C24H33F6N5O5/c1-11-16(18(37)32-14(9-31)7-13-8-22(5,6)34-17(13)36)35(10-21(11,3)4)19(38)15(12(2)40-24(28,29)30)33-20(39)23(25,26)27/h11-16H,7-8,10H2,1-6H3,(H,32,37)(H,33,39)(H,34,36)
InChIKeyKXCAXOMUUWWETM-UHFFFAOYSA-N
MW585.55 g/mol
LogP2.14
Rot. Bonds8

About N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide

N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 167482308) has the molecular formula C24H33F6N5O5 and a molecular weight of 585.55 g/mol. Its IUPAC name is N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide
PubChem CID167482308
Molecular FormulaC24H33F6N5O5
Molecular Weight585.55 g/mol
Exact Mass585.24
IUPAC NameN-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide
SMILESCC(OC(F)(F)F)C(NC(=O)C(F)(F)F)C(=O)N1CC(C)(C)C(C)C1C(=O)NC(C#N)CC1CC(C)(C)NC1=O
InChIInChI=1S/C24H33F6N5O5/c1-11-16(18(37)32-14(9-31)7-13-8-22(5,6)34-17(13)36)35(10-21(11,3)4)19(38)15(12(2)40-24(28,29)30)33-20(39)23(25,26)27/h11-16H,7-8,10H2,1-6H3,(H,32,37)(H,33,39)(H,34,36)
InChIKeyKXCAXOMUUWWETM-UHFFFAOYSA-N
XLogP2.14
TPSA140.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.55
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide (CID 167482308) is N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide is CC(OC(F)(F)F)C(NC(=O)C(F)(F)F)C(=O)N1CC(C)(C)C(C)C1C(=O)NC(C#N)CC1CC(C)(C)NC1=O.
What is the InChIKey of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is KXCAXOMUUWWETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F6N5O5/c1-11-16(18(37)32-14(9-31)7-13-8-22(5,6)34-17(13)36)35(10-21(11,3)4)19(38)15(12(2)40-24(28,29)30)33-20(39)23(25,26)27/h11-16H,7-8,10H2,1-6H3,(H,32,37)(H,33,39)(H,34,36).
What are the key properties of N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide?
N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 585.55 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3,4,4-trimethyl-1-[2-[(2,2,2-trifluoroacetyl)amino]-3-(trifluoromethoxy)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167482308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).