[(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

C110H129N9O18S2 — CID 172953674

About [(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

[(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 (PubChem CID 172953674) has the molecular formula C110H129N9O18S2 and a molecular weight of 1929.42 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 172953674
• Molecular Formula: C110H129N9O18S2
• Molecular Weight: 1929.42 g/mol
• Exact Mass: 1927.89
• IUPAC Name: [(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
• SMILES: CC/C(=N\OC(=O)C(C)(C)N1CCOCC1)C(=O)c1ccccc1.CC/C(=N\OC(=O)C(C)(C)SC)C(=O)c1ccccc1.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(C)(C)O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(C)(C)OC)ccc21.CSCC/C(=N\OC(=O)C(C)(C)N1CCCC1)C(=O)c1ccc(C)cc1
• InChI: InChI=1S/C29H30N2O4.C28H28N2O4.C20H28N2O3S.C18H24N2O4.C15H19NO3S/c1-7-31-25-14-12-20(19(3)30-35-28(33)29(4,5)34-6)16-23(25)24-17-21(13-15-26(24)31)27(32)22-11-9-8-10-18(22)2;1-6-30-24-13-11-19(18(3)29-34-27(32)28(4,5)33)15-22(24)23-16-20(12-14-25(23)30)26(31)21-10-8-7-9-17(21)2;1-15-7-9-16(10-8-15)18(23)17(11-14-26-4)21-25-19(24)20(2,3)22-12-5-6-13-22;1-4-15(16(21)14-8-6-5-7-9-14)19-24-17(22)18(2,3)20-10-12-23-13-11-20;1-5-12(13(17)11-9-7-6-8-10-11)16-19-14(18)15(2,3)20-4/h8-17H,7H2,1-6H3;7-16,33H,6H2,1-5H3;7-10H,5-6,11-14H2,1-4H3;5-9H,4,10-13H2,1-3H3;6-10H,5H2,1-4H3/b30-19+;29-18+;21-17+;19-15+;16-12+
• InChIKey: FVKYZZCCNYVQDE-ZTUNDURVSA-N
• XLogP: 20.75
• TPSA: 333.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.42
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

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'}

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is CC/C(=N\OC(=O)C(C)(C)N1CCOCC1)C(=O)c1ccccc1.CC/C(=N\OC(=O)C(C)(C)SC)C(=O)c1ccccc1.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(C)(C)O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(C)(C)OC)ccc21.CSCC/C(=N\OC(=O)C(C)(C)N1CCCC1)C(=O)c1ccc(C)cc1.

What is the InChIKey of [(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?

The InChIKey is FVKYZZCCNYVQDE-ZTUNDURVSA-N. The full InChI is InChI=1S/C29H30N2O4.C28H28N2O4.C20H28N2O3S.C18H24N2O4.C15H19NO3S/c1-7-31-25-14-12-20(19(3)30-35-28(33)29(4,5)34-6)16-23(25)24-17-21(13-15-26(24)31)27(32)22-11-9-8-10-18(22)2;1-6-30-24-13-11-19(18(3)29-34-27(32)28(4,5)33)15-22(24)23-16-20(12-14-25(23)30)26(31)21-10-8-7-9-17(21)2;1-15-7-9-16(10-8-15)18(23)17(11-14-26-4)21-25-19(24)20(2,3)22-12-5-6-13-22;1-4-15(16(21)14-8-6-5-7-9-14)19-24-17(22)18(2,3)20-10-12-23-13-11-20;1-5-12(13(17)11-9-7-6-8-10-11)16-19-14(18)15(2,3)20-4/h8-17H,7H2,1-6H3;7-16,33H,6H2,1-5H3;7-10H,5-6,11-14H2,1-4H3;5-9H,4,10-13H2,1-3H3;6-10H,5H2,1-4H3/b30-19+;29-18+;21-17+;19-15+;16-12+.

What are the key properties of [(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?

[(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 has a molecular weight of 1929.42 g/mol, XLogP of 20.75, 33 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 172953674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).