(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide

C35H44N4O11 — CID 163557067

About (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide

(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 163557067) has the molecular formula C35H44N4O11 and a molecular weight of 696.75 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide
• PubChem CID: 163557067
• Molecular Formula: C35H44N4O11
• Molecular Weight: 696.75 g/mol
• Exact Mass: 696.30
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide
• SMILES: C#CCOCCOCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2=O)CC1
• InChI: InChI=1S/C19H26N2O5.C16H18N2O6/c1-2-10-25-12-13-26-11-9-20-19(24)16-5-3-15(4-6-16)14-21-17(22)7-8-18(21)23;19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h1,7-8,15-16H,3-6,9-14H2,(H,20,24);5-6,10-11H,1-4,7-9H2
• InChIKey: FNZGSSUGYPWEBC-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 186.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.75
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide (CID 163557067) is (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide is C#CCOCCOCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2=O)CC1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide?

The InChIKey is FNZGSSUGYPWEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5.C16H18N2O6/c1-2-10-25-12-13-26-11-9-20-19(24)16-5-3-15(4-6-16)14-21-17(22)7-8-18(21)23;19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h1,7-8,15-16H,3-6,9-14H2,(H,20,24);5-6,10-11H,1-4,7-9H2.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide?

(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 696.75 g/mol, XLogP of 0.83, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 163557067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).