methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate

C46H47NO8 — CID 58385648

IUPACmethyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
SMILESC=C(C)COC(=O)Cc1ccc(N(c2ccc(CC(=O)OCC(=C)C(=O)OC)cc2)c2ccc3c(c2)C(C)(C)c2cc(CC(=O)OCC(=C)C)ccc2-3)cc1
InChIInChI=1S/C46H47NO8/c1-29(2)26-53-42(48)22-32-9-14-35(15-10-32)47(36-16-11-33(12-17-36)23-43(49)55-28-31(5)45(51)52-8)37-18-20-39-38-19-13-34(24-44(50)54-27-30(3)4)21-40(38)46(6,7)41(39)25-37/h9-21,25H,1,3,5,22-24,26-28H2,2,4,6-8H3
InChIKeyQBOPCPHATZOOCO-UHFFFAOYSA-N
MW741.88 g/mol
LogP8.60
Rot. Bonds16

About methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate

methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate (PubChem CID 58385648) has the molecular formula C46H47NO8 and a molecular weight of 741.88 g/mol. Its IUPAC name is methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
PubChem CID58385648
Molecular FormulaC46H47NO8
Molecular Weight741.88 g/mol
Exact Mass741.33
IUPAC Namemethyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
SMILESC=C(C)COC(=O)Cc1ccc(N(c2ccc(CC(=O)OCC(=C)C(=O)OC)cc2)c2ccc3c(c2)C(C)(C)c2cc(CC(=O)OCC(=C)C)ccc2-3)cc1
InChIInChI=1S/C46H47NO8/c1-29(2)26-53-42(48)22-32-9-14-35(15-10-32)47(36-16-11-33(12-17-36)23-43(49)55-28-31(5)45(51)52-8)37-18-20-39-38-19-13-34(24-44(50)54-27-30(3)4)21-40(38)46(6,7)41(39)25-37/h9-21,25H,1,3,5,22-24,26-28H2,2,4,6-8H3
InChIKeyQBOPCPHATZOOCO-UHFFFAOYSA-N
XLogP8.60
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.88
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
The IUPAC name of methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate (CID 58385648) is methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate is C=C(C)COC(=O)Cc1ccc(N(c2ccc(CC(=O)OCC(=C)C(=O)OC)cc2)c2ccc3c(c2)C(C)(C)c2cc(CC(=O)OCC(=C)C)ccc2-3)cc1.
What is the InChIKey of methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
The InChIKey is QBOPCPHATZOOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47NO8/c1-29(2)26-53-42(48)22-32-9-14-35(15-10-32)47(36-16-11-33(12-17-36)23-43(49)55-28-31(5)45(51)52-8)37-18-20-39-38-19-13-34(24-44(50)54-27-30(3)4)21-40(38)46(6,7)41(39)25-37/h9-21,25H,1,3,5,22-24,26-28H2,2,4,6-8H3.
What are the key properties of methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate has a molecular weight of 741.88 g/mol, XLogP of 8.60, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 58385648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).