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

C24H36N4O — CID 142070721

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

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

Related Compounds

1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide;heptane
CID 142070720
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468668
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134211831
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 142246680
(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 59908762
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757

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).