2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide

C22H34N4O6 — CID 101458839

IUPAC2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide
SMILESC=CCOC1CCC(=O)N1C(=O)NCCCCCCNC(=O)N1C(=O)CCC1OCC=C
InChIInChI=1S/C22H34N4O6/c1-3-15-31-19-11-9-17(27)25(19)21(29)23-13-7-5-6-8-14-24-22(30)26-18(28)10-12-20(26)32-16-4-2/h3-4,19-20H,1-2,5-16H2,(H,23,29)(H,24,30)
InChIKeyKFIWWJFFSABBMQ-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.27
Rot. Bonds13

About 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide

2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide (PubChem CID 101458839) has the molecular formula C22H34N4O6 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide
PubChem CID101458839
Molecular FormulaC22H34N4O6
Molecular Weight450.54 g/mol
Exact Mass450.25
IUPAC Name2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide
SMILESC=CCOC1CCC(=O)N1C(=O)NCCCCCCNC(=O)N1C(=O)CCC1OCC=C
InChIInChI=1S/C22H34N4O6/c1-3-15-31-19-11-9-17(27)25(19)21(29)23-13-7-5-6-8-14-24-22(30)26-18(28)10-12-20(26)32-16-4-2/h3-4,19-20H,1-2,5-16H2,(H,23,29)(H,24,30)
InChIKeyKFIWWJFFSABBMQ-UHFFFAOYSA-N
XLogP2.27
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.27
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-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide (CID 101458839) is 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide is C=CCOC1CCC(=O)N1C(=O)NCCCCCCNC(=O)N1C(=O)CCC1OCC=C.
What is the InChIKey of 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
The InChIKey is KFIWWJFFSABBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O6/c1-3-15-31-19-11-9-17(27)25(19)21(29)23-13-7-5-6-8-14-24-22(30)26-18(28)10-12-20(26)32-16-4-2/h3-4,19-20H,1-2,5-16H2,(H,23,29)(H,24,30).
What are the key properties of 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide?
2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.27, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[6-[(2-oxo-5-prop-2-enoxypyrrolidine-1-carbonyl)amino]hexyl]-5-prop-2-enoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 101458839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).