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1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C24H36N4O — CID 142070721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESC=C(N)CN(CCC1CCCC1)C(=C)N1CCCC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H36N4O/c1-18-10-12-22(13-11-18)26-24(29)23-9-6-15-28(23)20(3)27(17-19(2)25)16-14-21-7-4-5-8-21/h10-13,21,23H,2-9,14-17,25H2,1H3,(H,26,29)
InChIKeyYUURGTKOPVSVBZ-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.22
Rot. Bonds9

About 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide

1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 142070721) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID142070721
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESC=C(N)CN(CCC1CCCC1)C(=C)N1CCCC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H36N4O/c1-18-10-12-22(13-11-18)26-24(29)23-9-6-15-28(23)20(3)27(17-19(2)25)16-14-21-7-4-5-8-21/h10-13,21,23H,2-9,14-17,25H2,1H3,(H,26,29)
InChIKeyYUURGTKOPVSVBZ-UHFFFAOYSA-N
XLogP4.22
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 142070721) is 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide is C=C(N)CN(CCC1CCCC1)C(=C)N1CCCC1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YUURGTKOPVSVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-18-10-12-22(13-11-18)26-24(29)23-9-6-15-28(23)20(3)27(17-19(2)25)16-14-21-7-4-5-8-21/h10-13,21,23H,2-9,14-17,25H2,1H3,(H,26,29).
What are the key properties of 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142070721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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