[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate

C200H219N15O27S — CID 172980783

IUPAC[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate
SMILESCC/C(=N\OC(=O)C(C)(C)O)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CC/C(=N\OC(=O)C(C)(C)SC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N(C)C)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N1CCCC1)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N1CCOCC1)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)OC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C36H41N3O5.C36H41N3O4.C34H39N3O4.C33H36N2O5.C31H32N2O4S.C30H30N2O5/c1-6-8-13-30(37-44-35(42)36(4,5)38-18-20-43-21-19-38)34(41)26-15-17-32-29(23-26)28-22-25(14-16-31(28)39(32)7-2)33(40)27-12-10-9-11-24(27)3;1-6-8-15-30(37-43-35(42)36(4,5)38-20-11-12-21-38)34(41)26-17-19-32-29(23-26)28-22-25(16-18-31(28)39(32)7-2)33(40)27-14-10-9-13-24(27)3;1-8-10-15-28(35-41-33(40)34(4,5)36(6)7)32(39)24-17-19-30-27(21-24)26-20-23(16-18-29(26)37(30)9-2)31(38)25-14-12-11-13-22(25)3;1-7-9-14-27(34-40-32(38)33(4,5)39-6)31(37)23-16-18-29-26(20-23)25-19-22(15-17-28(25)35(29)8-2)30(36)24-13-11-10-12-21(24)3;1-7-25(32-37-30(36)31(4,5)38-6)29(35)21-14-16-27-24(18-21)23-17-20(13-15-26(23)33(27)8-2)28(34)22-12-10-9-11-19(22)3;1-6-24(31-37-29(35)30(4,5)36)28(34)20-13-15-26-23(17-20)22-16-19(12-14-25(22)32(26)7-2)27(33)21-11-9-8-10-18(21)3/h9-12,14-17,22-23H,6-8,13,18-21H2,1-5H3;9-10,13-14,16-19,22-23H,6-8,11-12,15,20-21H2,1-5H3;11-14,16-21H,8-10,15H2,1-7H3;10-13,15-20H,7-9,14H2,1-6H3;9-18H,7-8H2,1-6H3;8-17,36H,6-7H2,1-5H3/b2*37-30+;35-28+;34-27+;32-25+;31-24+
InChIKeyUGIPYSJTHAZLGX-KTNGLBAESA-N
MW3297.10 g/mol
LogP40.86
Rot. Bonds61

About [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate

[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate (PubChem CID 172980783) has the molecular formula C200H219N15O27S and a molecular weight of 3297.10 g/mol. Its IUPAC name is [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Name[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate
PubChem CID172980783
Molecular FormulaC200H219N15O27S
Molecular Weight3297.10 g/mol
Exact Mass3294.59
IUPAC Name[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate
SMILESCC/C(=N\OC(=O)C(C)(C)O)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CC/C(=N\OC(=O)C(C)(C)SC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N(C)C)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N1CCCC1)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N1CCOCC1)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)OC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC
InChIInChI=1S/C36H41N3O5.C36H41N3O4.C34H39N3O4.C33H36N2O5.C31H32N2O4S.C30H30N2O5/c1-6-8-13-30(37-44-35(42)36(4,5)38-18-20-43-21-19-38)34(41)26-15-17-32-29(23-26)28-22-25(14-16-31(28)39(32)7-2)33(40)27-12-10-9-11-24(27)3;1-6-8-15-30(37-43-35(42)36(4,5)38-20-11-12-21-38)34(41)26-17-19-32-29(23-26)28-22-25(16-18-31(28)39(32)7-2)33(40)27-14-10-9-13-24(27)3;1-8-10-15-28(35-41-33(40)34(4,5)36(6)7)32(39)24-17-19-30-27(21-24)26-20-23(16-18-29(26)37(30)9-2)31(38)25-14-12-11-13-22(25)3;1-7-9-14-27(34-40-32(38)33(4,5)39-6)31(37)23-16-18-29-26(20-23)25-19-22(15-17-28(25)35(29)8-2)30(36)24-13-11-10-12-21(24)3;1-7-25(32-37-30(36)31(4,5)38-6)29(35)21-14-16-27-24(18-21)23-17-20(13-15-26(23)33(27)8-2)28(34)22-12-10-9-11-19(22)3;1-6-24(31-37-29(35)30(4,5)36)28(34)20-13-15-26-23(17-20)22-16-19(12-14-25(22)32(26)7-2)27(33)21-11-9-8-10-18(21)3/h9-12,14-17,22-23H,6-8,13,18-21H2,1-5H3;9-10,13-14,16-19,22-23H,6-8,11-12,15,20-21H2,1-5H3;11-14,16-21H,8-10,15H2,1-7H3;10-13,15-20H,7-9,14H2,1-6H3;9-18H,7-8H2,1-6H3;8-17,36H,6-7H2,1-5H3/b2*37-30+;35-28+;34-27+;32-25+;31-24+
InChIKeyUGIPYSJTHAZLGX-KTNGLBAESA-N
XLogP40.86
TPSA514.79 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds61
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003297.10
LogP ≤ 540.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate with MolForge

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Related Compounds

[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-hydroxy-2-methylpropanoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methoxy-2-methylpropanoate;[(E)-[1-(4-methylphenyl)-4-methylsulfanyl-1-oxobutan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate;[(E)-(1-oxo-1-phenylbutan-2-ylidene)amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-(1-oxo-1-phenylbutan-2-ylidene)amino] 2-methyl-2-morpholin-4-ylpropanoate
CID 172953674
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate
CID 123642792
[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate
CID 88591610
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate
CID 123512640
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate
CID 123904230
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate
CID 123404733
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
[4-[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino]oxy-3-methyl-3-morpholin-4-yl-4-oxobutyl] benzoate
CID 88591688
[(E)-[1-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-1-oxo-5-sulfanylpentan-2-ylidene]amino] heptanoate
CID 162463671
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate
CID 146507113
[(Z)-benzo[e][1]benzofuran-1-ylideneamino] acetate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-bromophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2-dimethylpropanoate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate;[(Z)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
CID 172918187

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate?
The IUPAC name of [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate (CID 172980783) is [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate?
The canonical SMILES for [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate is CC/C(=N\OC(=O)C(C)(C)O)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CC/C(=N\OC(=O)C(C)(C)SC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N(C)C)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N1CCCC1)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)N1CCOCC1)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.CCCC/C(=N\OC(=O)C(C)(C)OC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC.
What is the InChIKey of [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate?
The InChIKey is UGIPYSJTHAZLGX-KTNGLBAESA-N. The full InChI is InChI=1S/C36H41N3O5.C36H41N3O4.C34H39N3O4.C33H36N2O5.C31H32N2O4S.C30H30N2O5/c1-6-8-13-30(37-44-35(42)36(4,5)38-18-20-43-21-19-38)34(41)26-15-17-32-29(23-26)28-22-25(14-16-31(28)39(32)7-2)33(40)27-12-10-9-11-24(27)3;1-6-8-15-30(37-43-35(42)36(4,5)38-20-11-12-21-38)34(41)26-17-19-32-29(23-26)28-22-25(16-18-31(28)39(32)7-2)33(40)27-14-10-9-13-24(27)3;1-8-10-15-28(35-41-33(40)34(4,5)36(6)7)32(39)24-17-19-30-27(21-24)26-20-23(16-18-29(26)37(30)9-2)31(38)25-14-12-11-13-22(25)3;1-7-9-14-27(34-40-32(38)33(4,5)39-6)31(37)23-16-18-29-26(20-23)25-19-22(15-17-28(25)35(29)8-2)30(36)24-13-11-10-12-21(24)3;1-7-25(32-37-30(36)31(4,5)38-6)29(35)21-14-16-27-24(18-21)23-17-20(13-15-26(23)33(27)8-2)28(34)22-12-10-9-11-19(22)3;1-6-24(31-37-29(35)30(4,5)36)28(34)20-13-15-26-23(17-20)22-16-19(12-14-25(22)32(26)7-2)27(33)21-11-9-8-10-18(21)3/h9-12,14-17,22-23H,6-8,13,18-21H2,1-5H3;9-10,13-14,16-19,22-23H,6-8,11-12,15,20-21H2,1-5H3;11-14,16-21H,8-10,15H2,1-7H3;10-13,15-20H,7-9,14H2,1-6H3;9-18H,7-8H2,1-6H3;8-17,36H,6-7H2,1-5H3/b2*37-30+;35-28+;34-27+;32-25+;31-24+.
What are the key properties of [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate?
[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate has a molecular weight of 3297.10 g/mol, XLogP of 40.86, 61 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-hydroxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] 2-methyl-2-methylsulfanylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-(dimethylamino)-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methoxy-2-methylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-morpholin-4-ylpropanoate;[(E)-[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] 2-methyl-2-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 172980783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).