1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide

C20H32N2O3 — CID 123143955

IUPAC1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide
SMILESC=CC(C=CCCCCC)C(NC(=O)C1CCCN1C(C)=O)C(C)=O
InChIInChI=1S/C20H32N2O3/c1-5-7-8-9-10-12-17(6-2)19(15(3)23)21-20(25)18-13-11-14-22(18)16(4)24/h6,10,12,17-19H,2,5,7-9,11,13-14H2,1,3-4H3,(H,21,25)
InChIKeyPYGVLRLSDNQCKJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.01
Rot. Bonds10

About 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide

1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide (PubChem CID 123143955) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide
PubChem CID123143955
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide
SMILESC=CC(C=CCCCCC)C(NC(=O)C1CCCN1C(C)=O)C(C)=O
InChIInChI=1S/C20H32N2O3/c1-5-7-8-9-10-12-17(6-2)19(15(3)23)21-20(25)18-13-11-14-22(18)16(4)24/h6,10,12,17-19H,2,5,7-9,11,13-14H2,1,3-4H3,(H,21,25)
InChIKeyPYGVLRLSDNQCKJ-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)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 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide (CID 123143955) is 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide is C=CC(C=CCCCCC)C(NC(=O)C1CCCN1C(C)=O)C(C)=O.
What is the InChIKey of 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is PYGVLRLSDNQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-5-7-8-9-10-12-17(6-2)19(15(3)23)21-20(25)18-13-11-14-22(18)16(4)24/h6,10,12,17-19H,2,5,7-9,11,13-14H2,1,3-4H3,(H,21,25).
What are the key properties of 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide?
1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-ethenyl-2-oxoundec-5-en-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123143955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).