carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium

C39H69FN4O3Y-2 — CID 176967571

IUPACcarbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium
SMILESC=C/C(=C\C=C(CC)\C(CCCC)=C(C)\N=C\C)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C.CC.CC.[CH3-].[CH3-].[Y]
InChIInChI=1S/C33H51FN4O3.2C2H6.2CH3.Y/c1-9-13-15-26(23(5)35-12-4)25(11-3)18-17-24(10-2)22-36-29(39)27-16-14-21-38(27)30(40)28(32(6,7)8)37-31(41)33(34)19-20-33;2*1-2;;;/h10,12,17-18,27-28H,2,9,11,13-16,19-22H2,1,3-8H3,(H,36,39)(H,37,41);2*1-2H3;2*1H3;/q;;;2*-1;/b24-17+,25-18+,26-23+,35-12+;;;;;
InChIKeyGFSRFWVLRKPHRI-QNLRZPTFSA-N
MW749.91 g/mol
LogP9.08
Rot. Bonds14

About carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium

carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium (PubChem CID 176967571) has the molecular formula C39H69FN4O3Y-2 and a molecular weight of 749.91 g/mol. Its IUPAC name is carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium
PubChem CID176967571
Molecular FormulaC39H69FN4O3Y-2
Molecular Weight749.91 g/mol
Exact Mass749.44
IUPAC Namecarbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium
SMILESC=C/C(=C\C=C(CC)\C(CCCC)=C(C)\N=C\C)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C.CC.CC.[CH3-].[CH3-].[Y]
InChIInChI=1S/C33H51FN4O3.2C2H6.2CH3.Y/c1-9-13-15-26(23(5)35-12-4)25(11-3)18-17-24(10-2)22-36-29(39)27-16-14-21-38(27)30(40)28(32(6,7)8)37-31(41)33(34)19-20-33;2*1-2;;;/h10,12,17-18,27-28H,2,9,11,13-16,19-22H2,1,3-8H3,(H,36,39)(H,37,41);2*1-2H3;2*1H3;/q;;;2*-1;/b24-17+,25-18+,26-23+,35-12+;;;;;
InChIKeyGFSRFWVLRKPHRI-QNLRZPTFSA-N
XLogP9.08
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.91
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium 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 carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium?
The IUPAC name of carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium (CID 176967571) is carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium.
What is the SMILES notation for carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium?
The canonical SMILES for carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium is C=C/C(=C\C=C(CC)\C(CCCC)=C(C)\N=C\C)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C.CC.CC.[CH3-].[CH3-].[Y].
What is the InChIKey of carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium?
The InChIKey is GFSRFWVLRKPHRI-QNLRZPTFSA-N. The full InChI is InChI=1S/C33H51FN4O3.2C2H6.2CH3.Y/c1-9-13-15-26(23(5)35-12-4)25(11-3)18-17-24(10-2)22-36-29(39)27-16-14-21-38(27)30(40)28(32(6,7)8)37-31(41)33(34)19-20-33;2*1-2;;;/h10,12,17-18,27-28H,2,9,11,13-16,19-22H2,1,3-8H3,(H,36,39)(H,37,41);2*1-2H3;2*1H3;/q;;;2*-1;/b24-17+,25-18+,26-23+,35-12+;;;;;.
What are the key properties of carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium?
carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium has a molecular weight of 749.91 g/mol, XLogP of 9.08, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;N-[(2E,4E,6E)-2-ethenyl-5-ethyl-6-[1-(ethylideneamino)ethylidene]deca-2,4-dienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;yttrium is sourced from PubChem (CID 176967571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).