2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate

C65H70N2O12 — CID 59392153

About 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate

2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate (PubChem CID 59392153) has the molecular formula C65H70N2O12 and a molecular weight of 1071.28 g/mol. Its IUPAC name is 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 59392153
• Molecular Formula: C65H70N2O12
• Molecular Weight: 1071.28 g/mol
• Exact Mass: 1070.49
• IUPAC Name: 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=CC(=O)OCCOCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(COCCOC(=O)C(=C)C)cc4)c4ccc(COCCOC(=O)C(=C)C)c(C)c4)cc3)cc2)c2ccc(COCCOC(=O)C(=C)C)c(C)c2)cc1
• InChI: InChI=1S/C65H70N2O12/c1-10-62(68)76-35-31-72-41-50-11-21-56(22-12-50)66(60-29-19-54(48(8)39-60)43-74-33-37-78-64(70)46(4)5)58-25-15-52(16-26-58)53-17-27-59(28-18-53)67(57-23-13-51(14-24-57)42-73-32-36-77-63(69)45(2)3)61-30-20-55(49(9)40-61)44-75-34-38-79-65(71)47(6)7/h10-30,39-40H,1-2,4,6,31-38,41-44H2,3,5,7-9H3
• InChIKey: ROTKYAIRXKNFPZ-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 148.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 31
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.28
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate (CID 59392153) is 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate is C=CC(=O)OCCOCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(COCCOC(=O)C(=C)C)cc4)c4ccc(COCCOC(=O)C(=C)C)c(C)c4)cc3)cc2)c2ccc(COCCOC(=O)C(=C)C)c(C)c2)cc1.

What is the InChIKey of 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is ROTKYAIRXKNFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H70N2O12/c1-10-62(68)76-35-31-72-41-50-11-21-56(22-12-50)66(60-29-19-54(48(8)39-60)43-74-33-37-78-64(70)46(4)5)58-25-15-52(16-26-58)53-17-27-59(28-18-53)67(57-23-13-51(14-24-57)42-73-32-36-77-63(69)45(2)3)61-30-20-55(49(9)40-61)44-75-34-38-79-65(71)47(6)7/h10-30,39-40H,1-2,4,6,31-38,41-44H2,3,5,7-9H3.

What are the key properties of 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate?

2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 1071.28 g/mol, XLogP of 13.06, 31 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59392153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).