2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide

C59H96N4O19 — CID 161027118

About 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide

2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 161027118) has the molecular formula C59H96N4O19 and a molecular weight of 1165.43 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
• PubChem CID: 161027118
• Molecular Formula: C59H96N4O19
• Molecular Weight: 1165.43 g/mol
• Exact Mass: 1164.67
• IUPAC Name: 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
• SMILES: C=C(C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C.C=CC(=O)CCCCOCC(COCCCCC(=O)C=C)(COCCCNC(=O)C=C)NC(=O)C=C.C=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C
• InChI: InChI=1S/C27H42N2O7.C16H28N2O5.C16H26O7/c1-5-23(30)14-9-11-17-34-20-27(29-26(33)8-4,21-35-18-12-10-15-24(31)6-2)22-36-19-13-16-28-25(32)7-3;1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2;1-13(2)15(17)22-11-9-20-7-5-19-6-8-21-10-12-23-16(18)14(3)4/h5-8H,1-4,9-22H2,(H,28,32)(H,29,33);3-4H,1-2,5-14H2,(H,17,19)(H,18,20);1,3,5-12H2,2,4H3
• InChIKey: TZDBXGNQKHSWOK-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 286.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 55
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.43
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?

The IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (CID 161027118) is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.

What is the SMILES notation for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?

The canonical SMILES for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is C=C(C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C.C=CC(=O)CCCCOCC(COCCCCC(=O)C=C)(COCCCNC(=O)C=C)NC(=O)C=C.C=CC(=O)NCCCOCCOCCOCCCNC(=O)C=C.

What is the InChIKey of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?

The InChIKey is TZDBXGNQKHSWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O7.C16H28N2O5.C16H26O7/c1-5-23(30)14-9-11-17-34-20-27(29-26(33)8-4,21-35-18-12-10-15-24(31)6-2)22-36-19-13-16-28-25(32)7-3;1-3-15(19)17-7-5-9-21-11-13-23-14-12-22-10-6-8-18-16(20)4-2;1-13(2)15(17)22-11-9-20-7-5-19-6-8-21-10-12-23-16(18)14(3)4/h5-8H,1-4,9-22H2,(H,28,32)(H,29,33);3-4H,1-2,5-14H2,(H,17,19)(H,18,20);1,3,5-12H2,2,4H3.

What are the key properties of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?

2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 1165.43 g/mol, XLogP of 4.32, 55 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 161027118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).