1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate

C125H248N4O42 — CID 165000018

About 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate

1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 165000018) has the molecular formula C125H248N4O42 and a molecular weight of 2479.34 g/mol. Its IUPAC name is 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
• PubChem CID: 165000018
• Molecular Formula: C125H248N4O42
• Molecular Weight: 2479.34 g/mol
• Exact Mass: 2477.74
• IUPAC Name: 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)NCCCCOCC(COC)OC.C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(=O)OCC(COC)OC.C=C(C)C(=O)OCCCC(=O)OCC(COC)OC.C=C(C)C(=O)OCCNC(=O)OC(CCC)CNC.C=C(C)C(=O)OCCNC(=O)OCCCCOCC(COC)OC.C=C(C)C(=O)OCCOCCCC(=O)OCC(COC)OC.C=CCOCC(COC)OC.C=Cc1ccc(COCC(COC)OC)cc1
• InChI: InChI=1S/C19H30O8.C16H29NO7.C15H26O7.C14H20O3.C13H24N2O4.C13H25NO4.C13H22O6.C8H16O3.14CH4/c1-13(2)17(21)26-11-19(5,12-27-18(22)14(3)4)8-16(20)25-10-15(24-7)9-23-6;1-13(2)15(18)23-10-7-17-16(19)24-9-6-5-8-22-12-14(21-4)11-20-3;1-12(2)15(17)21-9-8-20-7-5-6-14(16)22-11-13(19-4)10-18-3;1-4-12-5-7-13(8-6-12)9-17-11-14(16-3)10-15-2;1-5-6-11(9-14-4)19-13(17)15-7-8-18-12(16)10(2)3;1-11(2)13(15)14-7-5-6-8-18-10-12(17-4)9-16-3;1-10(2)13(15)18-7-5-6-12(14)19-9-11(17-4)8-16-3;1-4-5-11-7-8(10-3)6-9-2;;;;;;;;;;;;;;/h15H,1,3,8-12H2,2,4-7H3;14H,1,5-12H2,2-4H3,(H,17,19);13H,1,5-11H2,2-4H3;4-8,14H,1,9-11H2,2-3H3;11,14H,2,5-9H2,1,3-4H3,(H,15,17);12H,1,5-10H2,2-4H3,(H,14,15);11H,1,5-9H2,2-4H3;4,8H,1,5-7H2,2-3H3;14*1H4
• InChIKey: ICSWOUZCGIIZCN-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 529.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 85
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2479.34
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?

The IUPAC name of 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 165000018) is 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)NCCCCOCC(COC)OC.C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(=O)OCC(COC)OC.C=C(C)C(=O)OCCCC(=O)OCC(COC)OC.C=C(C)C(=O)OCCNC(=O)OC(CCC)CNC.C=C(C)C(=O)OCCNC(=O)OCCCCOCC(COC)OC.C=C(C)C(=O)OCCOCCCC(=O)OCC(COC)OC.C=CCOCC(COC)OC.C=Cc1ccc(COCC(COC)OC)cc1.

What is the InChIKey of 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?

The InChIKey is ICSWOUZCGIIZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O8.C16H29NO7.C15H26O7.C14H20O3.C13H24N2O4.C13H25NO4.C13H22O6.C8H16O3.14CH4/c1-13(2)17(21)26-11-19(5,12-27-18(22)14(3)4)8-16(20)25-10-15(24-7)9-23-6;1-13(2)15(18)23-10-7-17-16(19)24-9-6-5-8-22-12-14(21-4)11-20-3;1-12(2)15(17)21-9-8-20-7-5-6-14(16)22-11-13(19-4)10-18-3;1-4-12-5-7-13(8-6-12)9-17-11-14(16-3)10-15-2;1-5-6-11(9-14-4)19-13(17)15-7-8-18-12(16)10(2)3;1-11(2)13(15)14-7-5-6-8-18-10-12(17-4)9-16-3;1-10(2)13(15)18-7-5-6-12(14)19-9-11(17-4)8-16-3;1-4-5-11-7-8(10-3)6-9-2;;;;;;;;;;;;;;/h15H,1,3,8-12H2,2,4-7H3;14H,1,5-12H2,2-4H3,(H,17,19);13H,1,5-11H2,2-4H3;4-8,14H,1,9-11H2,2-3H3;11,14H,2,5-9H2,1,3-4H3,(H,15,17);12H,1,5-10H2,2-4H3,(H,14,15);11H,1,5-9H2,2-4H3;4,8H,1,5-7H2,2-3H3;14*1H4.

What are the key properties of 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate?

1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 2479.34 g/mol, XLogP of 19.93, 85 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethoxy-3-prop-2-enoxypropane;2-[4-(2,3-dimethoxypropoxy)butoxycarbonylamino]ethyl 2-methylprop-2-enoate;N-[4-(2,3-dimethoxypropoxy)butyl]-2-methylprop-2-enamide;1-(2,3-dimethoxypropoxymethyl)-4-ethenylbenzene;2,3-dimethoxypropyl 3-methyl-4-(2-methylprop-2-enoyloxy)-3-(2-methylprop-2-enoyloxymethyl)butanoate;2,3-dimethoxypropyl 4-(2-methylprop-2-enoyloxy)butanoate;2,3-dimethoxypropyl 4-[2-(2-methylprop-2-enoyloxy)ethoxy]butanoate;methane;2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 165000018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).