1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate

C84H85N3O9 — CID 160871173

About 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate

1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate (PubChem CID 160871173) has the molecular formula C84H85N3O9 and a molecular weight of 1280.62 g/mol. Its IUPAC name is 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate
• PubChem CID: 160871173
• Molecular Formula: C84H85N3O9
• Molecular Weight: 1280.62 g/mol
• Exact Mass: 1279.63
• IUPAC Name: 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)COc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.C=C(C)C(=O)OC(C)COc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C31H29NO3.C27H29NO3.C26H27NO3/c1-23(2)31(33)35-24(3)22-34-30-20-18-29(19-21-30)32(27-12-8-5-9-13-27)28-16-14-26(15-17-28)25-10-6-4-7-11-25;1-19(2)27(29)31-22(5)18-30-26-16-14-25(15-17-26)28(23-10-6-20(3)7-11-23)24-12-8-21(4)9-13-24;1-5-26(28)30-21(4)18-29-25-16-14-24(15-17-25)27(22-10-6-19(2)7-11-22)23-12-8-20(3)9-13-23/h4-21,24H,1,22H2,2-3H3;6-17,22H,1,18H2,2-5H3;5-17,21H,1,18H2,2-4H3
• InChIKey: SLTVZHNLBKVPCA-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 116.31 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1280.62
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate?

The IUPAC name of 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate (CID 160871173) is 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate.

What is the SMILES notation for 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate?

The canonical SMILES for 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)COc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.C=C(C)C(=O)OC(C)COc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.C=CC(=O)OC(C)COc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.

What is the InChIKey of 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate?

The InChIKey is SLTVZHNLBKVPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO3.C27H29NO3.C26H27NO3/c1-23(2)31(33)35-24(3)22-34-30-20-18-29(19-21-30)32(27-12-8-5-9-13-27)28-16-14-26(15-17-28)25-10-6-4-7-11-25;1-19(2)27(29)31-22(5)18-30-26-16-14-25(15-17-26)28(23-10-6-20(3)7-11-23)24-12-8-21(4)9-13-24;1-5-26(28)30-21(4)18-29-25-16-14-24(15-17-25)27(22-10-6-19(2)7-11-22)23-12-8-20(3)9-13-23/h4-21,24H,1,22H2,2-3H3;6-17,22H,1,18H2,2-5H3;5-17,21H,1,18H2,2-4H3.

What are the key properties of 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate?

1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 1280.62 g/mol, XLogP of 20.64, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate;1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]propan-2-yl prop-2-enoate;1-[4-(N-(4-phenylphenyl)anilino)phenoxy]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 160871173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).