N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

C28H40FN3O3 — CID 170703778

IUPACN-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESC=C/C(=C\C=C(C=C)\C(C)=C/C)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C28H40FN3O3/c1-8-19(4)21(10-3)14-13-20(9-2)18-30-24(33)22-12-11-17-32(22)25(34)23(27(5,6)7)31-26(35)28(29)15-16-28/h8-10,13-14,22-23H,2-3,11-12,15-18H2,1,4-7H3,(H,30,33)(H,31,35)/b19-8-,20-13+,21-14+
InChIKeyRKCUCLYCENUDOY-USNRBSHJSA-N
MW485.64 g/mol
LogP4.32
Rot. Bonds10

About N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 170703778) has the molecular formula C28H40FN3O3 and a molecular weight of 485.64 g/mol. Its IUPAC name is N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID170703778
Molecular FormulaC28H40FN3O3
Molecular Weight485.64 g/mol
Exact Mass485.31
IUPAC NameN-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESC=C/C(=C\C=C(C=C)\C(C)=C/C)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C28H40FN3O3/c1-8-19(4)21(10-3)14-13-20(9-2)18-30-24(33)22-12-11-17-32(22)25(34)23(27(5,6)7)31-26(35)28(29)15-16-28/h8-10,13-14,22-23H,2-3,11-12,15-18H2,1,4-7H3,(H,30,33)(H,31,35)/b19-8-,20-13+,21-14+
InChIKeyRKCUCLYCENUDOY-USNRBSHJSA-N
XLogP4.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide 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 N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (CID 170703778) is N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is C=C/C(=C\C=C(C=C)\C(C)=C/C)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1(F)CC1)C(C)(C)C.
What is the InChIKey of N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is RKCUCLYCENUDOY-USNRBSHJSA-N. The full InChI is InChI=1S/C28H40FN3O3/c1-8-19(4)21(10-3)14-13-20(9-2)18-30-24(33)22-12-11-17-32(22)25(34)23(27(5,6)7)31-26(35)28(29)15-16-28/h8-10,13-14,22-23H,2-3,11-12,15-18H2,1,4-7H3,(H,30,33)(H,31,35)/b19-8-,20-13+,21-14+.
What are the key properties of N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 485.64 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6Z)-2,5-bis(ethenyl)-6-methylocta-2,4,6-trienyl]-1-[2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170703778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).