2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide

C32H57F3N6O6 — CID 143353280

IUPAC2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide
SMILESC=CCN(C)C(=O)CNC(=O)NC(C(=O)N1C[C@H](CC)C(C)[C@H]1C)C(C)(C)C.CC(C)C.NC(=O)C(=O)C(CCC(F)(F)F)NC=O
InChIInChI=1S/C21H38N4O3.C7H9F3N2O3.C4H10/c1-9-11-24(8)17(26)12-22-20(28)23-18(21(5,6)7)19(27)25-13-16(10-2)14(3)15(25)4;8-7(9,10)2-1-4(12-3-13)5(14)6(11)15;1-4(2)3/h9,14-16,18H,1,10-13H2,2-8H3,(H2,22,23,28);3-4H,1-2H2,(H2,11,15)(H,12,13);4H,1-3H3/t14?,15-,16+,18?;;/m1../s1
InChIKeyPRFRTUJVHGYDCC-LWYRMNECSA-N
MW678.84 g/mol
LogP3.40
Rot. Bonds13

About 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide

2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide (PubChem CID 143353280) has the molecular formula C32H57F3N6O6 and a molecular weight of 678.84 g/mol. Its IUPAC name is 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide.

Molecular Properties

Compound Name2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide
PubChem CID143353280
Molecular FormulaC32H57F3N6O6
Molecular Weight678.84 g/mol
Exact Mass678.43
IUPAC Name2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide
SMILESC=CCN(C)C(=O)CNC(=O)NC(C(=O)N1C[C@H](CC)C(C)[C@H]1C)C(C)(C)C.CC(C)C.NC(=O)C(=O)C(CCC(F)(F)F)NC=O
InChIInChI=1S/C21H38N4O3.C7H9F3N2O3.C4H10/c1-9-11-24(8)17(26)12-22-20(28)23-18(21(5,6)7)19(27)25-13-16(10-2)14(3)15(25)4;8-7(9,10)2-1-4(12-3-13)5(14)6(11)15;1-4(2)3/h9,14-16,18H,1,10-13H2,2-8H3,(H2,22,23,28);3-4H,1-2H2,(H2,11,15)(H,12,13);4H,1-3H3/t14?,15-,16+,18?;;/m1../s1
InChIKeyPRFRTUJVHGYDCC-LWYRMNECSA-N
XLogP3.40
TPSA171.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.84
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide?
The IUPAC name of 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide (CID 143353280) is 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide.
What is the SMILES notation for 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide?
The canonical SMILES for 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide is C=CCN(C)C(=O)CNC(=O)NC(C(=O)N1C[C@H](CC)C(C)[C@H]1C)C(C)(C)C.CC(C)C.NC(=O)C(=O)C(CCC(F)(F)F)NC=O.
What is the InChIKey of 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide?
The InChIKey is PRFRTUJVHGYDCC-LWYRMNECSA-N. The full InChI is InChI=1S/C21H38N4O3.C7H9F3N2O3.C4H10/c1-9-11-24(8)17(26)12-22-20(28)23-18(21(5,6)7)19(27)25-13-16(10-2)14(3)15(25)4;8-7(9,10)2-1-4(12-3-13)5(14)6(11)15;1-4(2)3/h9,14-16,18H,1,10-13H2,2-8H3,(H2,22,23,28);3-4H,1-2H2,(H2,11,15)(H,12,13);4H,1-3H3/t14?,15-,16+,18?;;/m1../s1.
What are the key properties of 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide?
2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide has a molecular weight of 678.84 g/mol, XLogP of 3.40, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2R,4R)-4-ethyl-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methyl-N-prop-2-enylacetamide;2-methylpropane;6,6,6-trifluoro-3-formamido-2-oxohexanamide is sourced from PubChem (CID 143353280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).