2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide

C24H38N4O6 — CID 101458837

IUPAC2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide
SMILESC=CCOC1CCC(=O)N1C(=O)NCCCCCCCCNC(=O)N1C(=O)CCC1OCC=C
InChIInChI=1S/C24H38N4O6/c1-3-17-33-21-13-11-19(29)27(21)23(31)25-15-9-7-5-6-8-10-16-26-24(32)28-20(30)12-14-22(28)34-18-4-2/h3-4,21-22H,1-2,5-18H2,(H,25,31)(H,26,32)
InChIKeyPFGRLIVLOAVBSI-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.05
Rot. Bonds15

About 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide

2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide (PubChem CID 101458837) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide
PubChem CID101458837
Molecular FormulaC24H38N4O6
Molecular Weight478.59 g/mol
Exact Mass478.28
IUPAC Name2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide
SMILESC=CCOC1CCC(=O)N1C(=O)NCCCCCCCCNC(=O)N1C(=O)CCC1OCC=C
InChIInChI=1S/C24H38N4O6/c1-3-17-33-21-13-11-19(29)27(21)23(31)25-15-9-7-5-6-8-10-16-26-24(32)28-20(30)12-14-22(28)34-18-4-2/h3-4,21-22H,1-2,5-18H2,(H,25,31)(H,26,32)
InChIKeyPFGRLIVLOAVBSI-UHFFFAOYSA-N
XLogP3.05
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide (CID 101458837) is 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide is C=CCOC1CCC(=O)N1C(=O)NCCCCCCCCNC(=O)N1C(=O)CCC1OCC=C.
What is the InChIKey of 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
The InChIKey is PFGRLIVLOAVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-3-17-33-21-13-11-19(29)27(21)23(31)25-15-9-7-5-6-8-10-16-26-24(32)28-20(30)12-14-22(28)34-18-4-2/h3-4,21-22H,1-2,5-18H2,(H,25,31)(H,26,32).
What are the key properties of 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 3.05, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[8-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]octyl]-5-prop-2-enoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 101458837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).