1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane

C32H59F3N6O6 — CID 143352145

IUPAC1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane
SMILESC=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)C1CCCN1C(=O)C(NC(=O)NC(C)C(N)=O)C(C)(C)C.CC.CC.CC(C)C
InChIInChI=1S/C24H37F3N6O6.C4H10.2C2H6/c1-6-11-29-20(37)16(34)14(9-10-24(25,26)27)31-19(36)15-8-7-12-33(15)21(38)17(23(3,4)5)32-22(39)30-13(2)18(28)35;1-4(2)3;2*1-2/h6,13-15,17H,1,7-12H2,2-5H3,(H2,28,35)(H,29,37)(H,31,36)(H2,30,32,39);4H,1-3H3;2*1-2H3
InChIKeyUWPLKTMLWUTXFK-UHFFFAOYSA-N
MW680.85 g/mol
LogP3.98
Rot. Bonds12

About 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane

1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane (PubChem CID 143352145) has the molecular formula C32H59F3N6O6 and a molecular weight of 680.85 g/mol. Its IUPAC name is 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane.

Molecular Properties

Compound Name1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane
PubChem CID143352145
Molecular FormulaC32H59F3N6O6
Molecular Weight680.85 g/mol
Exact Mass680.44
IUPAC Name1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane
SMILESC=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)C1CCCN1C(=O)C(NC(=O)NC(C)C(N)=O)C(C)(C)C.CC.CC.CC(C)C
InChIInChI=1S/C24H37F3N6O6.C4H10.2C2H6/c1-6-11-29-20(37)16(34)14(9-10-24(25,26)27)31-19(36)15-8-7-12-33(15)21(38)17(23(3,4)5)32-22(39)30-13(2)18(28)35;1-4(2)3;2*1-2/h6,13-15,17H,1,7-12H2,2-5H3,(H2,28,35)(H,29,37)(H,31,36)(H2,30,32,39);4H,1-3H3;2*1-2H3
InChIKeyUWPLKTMLWUTXFK-UHFFFAOYSA-N
XLogP3.98
TPSA179.80 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.85
LogP ≤ 53.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane 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 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
The IUPAC name of 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane (CID 143352145) is 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane.
What is the SMILES notation for 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
The canonical SMILES for 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane is C=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)C1CCCN1C(=O)C(NC(=O)NC(C)C(N)=O)C(C)(C)C.CC.CC.CC(C)C.
What is the InChIKey of 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
The InChIKey is UWPLKTMLWUTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3N6O6.C4H10.2C2H6/c1-6-11-29-20(37)16(34)14(9-10-24(25,26)27)31-19(36)15-8-7-12-33(15)21(38)17(23(3,4)5)32-22(39)30-13(2)18(28)35;1-4(2)3;2*1-2/h6,13-15,17H,1,7-12H2,2-5H3,(H2,28,35)(H,29,37)(H,31,36)(H2,30,32,39);4H,1-3H3;2*1-2H3.
What are the key properties of 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane?
1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane has a molecular weight of 680.85 g/mol, XLogP of 3.98, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;ethane;2-methylpropane is sourced from PubChem (CID 143352145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).