1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate

C156H186N10O30 — CID 172947424

IUPAC1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate
SMILESCCC(=O)O/N=C(/CCC(=O)OC(C)(C)C1CCCCC1)c1ccc2c(c1)C(C)(C)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)(C)C1CCCCC1)c1ccc2c(c1)C(CC)(CC)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)C1CCCCC1)c1ccc2c(c1)C(C)(C)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)C1CCCCC1)c1ccc2c(c1)C(CC)(CC)c1cc([N+](=O)[O-])ccc1-2.CCCC1(C)c2cc(/C(=N\OC(=O)CC)c3cccc(C(=O)OCC)c3)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C33H42N2O6.C32H40N2O6.C31H38N2O6.C30H36N2O6.C30H30N2O6/c1-6-30(36)41-34-29(18-19-31(37)40-32(4,5)23-12-10-9-11-13-23)22-14-16-25-26-17-15-24(35(38)39)21-28(26)33(7-2,8-3)27(25)20-22;1-5-30(35)40-33-29(17-18-31(36)39-21(4)22-11-9-8-10-12-22)23-13-15-25-26-16-14-24(34(37)38)20-28(26)32(6-2,7-3)27(25)19-23;1-6-28(34)39-32-27(16-17-29(35)38-31(4,5)21-10-8-7-9-11-21)20-12-14-23-24-15-13-22(33(36)37)19-26(24)30(2,3)25(23)18-20;1-5-28(33)38-31-27(15-16-29(34)37-19(2)20-9-7-6-8-10-20)21-11-13-23-24-14-12-22(32(35)36)18-26(24)30(3,4)25(23)17-21;1-5-15-30(4)25-17-20(11-13-23(25)24-14-12-22(32(35)36)18-26(24)30)28(31-38-27(33)6-2)19-9-8-10-21(16-19)29(34)37-7-3/h14-17,20-21,23H,6-13,18-19H2,1-5H3;13-16,19-22H,5-12,17-18H2,1-4H3;12-15,18-19,21H,6-11,16-17H2,1-5H3;11-14,17-20H,5-10,15-16H2,1-4H3;8-14,16-18H,5-7,15H2,1-4H3/b34-29-;33-29-;32-27-;31-27-;31-28-
InChIKeyIGMXQGBMYITGOZ-UVNYLRRQSA-N
MW2681.24 g/mol
LogP36.31
Rot. Bonds49

About 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate

1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate (PubChem CID 172947424) has the molecular formula C156H186N10O30 and a molecular weight of 2681.24 g/mol. Its IUPAC name is 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate.

Molecular Properties

Compound Name1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate
PubChem CID172947424
Molecular FormulaC156H186N10O30
Molecular Weight2681.24 g/mol
Exact Mass2679.33
IUPAC Name1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate
SMILESCCC(=O)O/N=C(/CCC(=O)OC(C)(C)C1CCCCC1)c1ccc2c(c1)C(C)(C)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)(C)C1CCCCC1)c1ccc2c(c1)C(CC)(CC)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)C1CCCCC1)c1ccc2c(c1)C(C)(C)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)C1CCCCC1)c1ccc2c(c1)C(CC)(CC)c1cc([N+](=O)[O-])ccc1-2.CCCC1(C)c2cc(/C(=N\OC(=O)CC)c3cccc(C(=O)OCC)c3)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C33H42N2O6.C32H40N2O6.C31H38N2O6.C30H36N2O6.C30H30N2O6/c1-6-30(36)41-34-29(18-19-31(37)40-32(4,5)23-12-10-9-11-13-23)22-14-16-25-26-17-15-24(35(38)39)21-28(26)33(7-2,8-3)27(25)20-22;1-5-30(35)40-33-29(17-18-31(36)39-21(4)22-11-9-8-10-12-22)23-13-15-25-26-16-14-24(34(37)38)20-28(26)32(6-2,7-3)27(25)19-23;1-6-28(34)39-32-27(16-17-29(35)38-31(4,5)21-10-8-7-9-11-21)20-12-14-23-24-15-13-22(33(36)37)19-26(24)30(2,3)25(23)18-20;1-5-28(33)38-31-27(15-16-29(34)37-19(2)20-9-7-6-8-10-20)21-11-13-23-24-14-12-22(32(35)36)18-26(24)30(3,4)25(23)17-21;1-5-15-30(4)25-17-20(11-13-23(25)24-14-12-22(32(35)36)18-26(24)30)28(31-38-27(33)6-2)19-9-8-10-21(16-19)29(34)37-7-3/h14-17,20-21,23H,6-13,18-19H2,1-5H3;13-16,19-22H,5-12,17-18H2,1-4H3;12-15,18-19,21H,6-11,16-17H2,1-5H3;11-14,17-20H,5-10,15-16H2,1-4H3;8-14,16-18H,5-7,15H2,1-4H3/b34-29-;33-29-;32-27-;31-27-;31-28-
InChIKeyIGMXQGBMYITGOZ-UVNYLRRQSA-N
XLogP36.31
TPSA540.50 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002681.24
LogP ≤ 536.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate?
The IUPAC name of 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate (CID 172947424) is 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate.
What is the SMILES notation for 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate?
The canonical SMILES for 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate is CCC(=O)O/N=C(/CCC(=O)OC(C)(C)C1CCCCC1)c1ccc2c(c1)C(C)(C)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)(C)C1CCCCC1)c1ccc2c(c1)C(CC)(CC)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)C1CCCCC1)c1ccc2c(c1)C(C)(C)c1cc([N+](=O)[O-])ccc1-2.CCC(=O)O/N=C(/CCC(=O)OC(C)C1CCCCC1)c1ccc2c(c1)C(CC)(CC)c1cc([N+](=O)[O-])ccc1-2.CCCC1(C)c2cc(/C(=N\OC(=O)CC)c3cccc(C(=O)OCC)c3)ccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate?
The InChIKey is IGMXQGBMYITGOZ-UVNYLRRQSA-N. The full InChI is InChI=1S/C33H42N2O6.C32H40N2O6.C31H38N2O6.C30H36N2O6.C30H30N2O6/c1-6-30(36)41-34-29(18-19-31(37)40-32(4,5)23-12-10-9-11-13-23)22-14-16-25-26-17-15-24(35(38)39)21-28(26)33(7-2,8-3)27(25)20-22;1-5-30(35)40-33-29(17-18-31(36)39-21(4)22-11-9-8-10-12-22)23-13-15-25-26-16-14-24(34(37)38)20-28(26)32(6-2,7-3)27(25)19-23;1-6-28(34)39-32-27(16-17-29(35)38-31(4,5)21-10-8-7-9-11-21)20-12-14-23-24-15-13-22(33(36)37)19-26(24)30(2,3)25(23)18-20;1-5-28(33)38-31-27(15-16-29(34)37-19(2)20-9-7-6-8-10-20)21-11-13-23-24-14-12-22(32(35)36)18-26(24)30(3,4)25(23)17-21;1-5-15-30(4)25-17-20(11-13-23(25)24-14-12-22(32(35)36)18-26(24)30)28(31-38-27(33)6-2)19-9-8-10-21(16-19)29(34)37-7-3/h14-17,20-21,23H,6-13,18-19H2,1-5H3;13-16,19-22H,5-12,17-18H2,1-4H3;12-15,18-19,21H,6-11,16-17H2,1-5H3;11-14,17-20H,5-10,15-16H2,1-4H3;8-14,16-18H,5-7,15H2,1-4H3/b34-29-;33-29-;32-27-;31-27-;31-28-.
What are the key properties of 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate?
1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate has a molecular weight of 2681.24 g/mol, XLogP of 36.31, 49 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;1-cyclohexylethyl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-diethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;2-cyclohexylpropan-2-yl (4Z)-4-(9,9-dimethyl-7-nitrofluoren-2-yl)-4-propanoyloxyiminobutanoate;ethyl 3-[(E)-C-(9-methyl-7-nitro-9-propylfluoren-2-yl)-N-propanoyloxycarbonimidoyl]benzoate is sourced from PubChem (CID 172947424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).