butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane

C34H61F3N6O6 — CID 143351146

IUPACbutane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane
SMILESC=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)NC(C)C)C(C)(C)C.CC(C)C.CCCC
InChIInChI=1S/C26H41F3N6O6.2C4H10/c1-7-12-30-22(39)19(37)16(10-11-26(27,28)29)33-21(38)17-9-8-13-35(17)23(40)20(25(4,5)6)34-24(41)31-14-18(36)32-15(2)3;1-4(2)3;1-3-4-2/h7,15-17,20H,1,8-14H2,2-6H3,(H,30,39)(H,32,36)(H,33,38)(H2,31,34,41);4H,1-3H3;3-4H2,1-2H3
InChIKeyKEHNBXQGNMRZCG-UHFFFAOYSA-N
MW706.89 g/mol
LogP4.38
Rot. Bonds14

About butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane

butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane (PubChem CID 143351146) has the molecular formula C34H61F3N6O6 and a molecular weight of 706.89 g/mol. Its IUPAC name is butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane.

Molecular Properties

Compound Namebutane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane
PubChem CID143351146
Molecular FormulaC34H61F3N6O6
Molecular Weight706.89 g/mol
Exact Mass706.46
IUPAC Namebutane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane
SMILESC=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)NC(C)C)C(C)(C)C.CC(C)C.CCCC
InChIInChI=1S/C26H41F3N6O6.2C4H10/c1-7-12-30-22(39)19(37)16(10-11-26(27,28)29)33-21(38)17-9-8-13-35(17)23(40)20(25(4,5)6)34-24(41)31-14-18(36)32-15(2)3;1-4(2)3;1-3-4-2/h7,15-17,20H,1,8-14H2,2-6H3,(H,30,39)(H,32,36)(H,33,38)(H2,31,34,41);4H,1-3H3;3-4H2,1-2H3
InChIKeyKEHNBXQGNMRZCG-UHFFFAOYSA-N
XLogP4.38
TPSA165.81 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.89
LogP ≤ 54.38
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 butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;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 butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane?
The IUPAC name of butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane (CID 143351146) is butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane.
What is the SMILES notation for butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane?
The canonical SMILES for butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane is C=CCNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)C1CCCN1C(=O)C(NC(=O)NCC(=O)NC(C)C)C(C)(C)C.CC(C)C.CCCC.
What is the InChIKey of butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane?
The InChIKey is KEHNBXQGNMRZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41F3N6O6.2C4H10/c1-7-12-30-22(39)19(37)16(10-11-26(27,28)29)33-21(38)17-9-8-13-35(17)23(40)20(25(4,5)6)34-24(41)31-14-18(36)32-15(2)3;1-4(2)3;1-3-4-2/h7,15-17,20H,1,8-14H2,2-6H3,(H,30,39)(H,32,36)(H,33,38)(H2,31,34,41);4H,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane?
butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane has a molecular weight of 706.89 g/mol, XLogP of 4.38, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]-N-[6,6,6-trifluoro-1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane is sourced from PubChem (CID 143351146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).