[(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate

C122H154N10O19 — CID 172958341

About [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate

[(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate (PubChem CID 172958341) has the molecular formula C122H154N10O19 and a molecular weight of 2064.62 g/mol. Its IUPAC name is [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate.

Molecular Properties

• Compound Name: [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate
• PubChem CID: 172958341
• Molecular Formula: C122H154N10O19
• Molecular Weight: 2064.62 g/mol
• Exact Mass: 2063.14
• IUPAC Name: [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate
• SMILES: CCCCCC/C(=N\OC(C)=O)C(=O)c1cn(-c2ccc(C(=O)C(C)(C)N(C)C)cc2)c2ccccc12.CCCCCC/C(=N\OC(C)=O)C(=O)c1cn(C(=O)c2ccccc2)c2ccc(C(=O)C(C)(C)N(CC)CC)cc12.CCCCCC/C(=N\OC(C)=O)C(=O)c1cn(CC)c2ccc(C(=O)C(C)(C)C(CC)CC)cc12.COC(OC)(C(=O)c1ccc2c(c1)c(C(=O)/C(CC1CCCCC1)=N/OC(C)=O)cn2C)c1ccccc1
• InChI: InChI=1S/C33H41N3O5.C30H37N3O4.C30H34N2O6.C29H42N2O4/c1-7-10-11-15-18-28(34-41-23(4)37)30(38)27-22-36(32(40)24-16-13-12-14-17-24)29-20-19-25(21-26(27)29)31(39)33(5,6)35(8-2)9-3;1-7-8-9-10-14-26(31-37-21(2)34)28(35)25-20-33(27-15-12-11-13-24(25)27)23-18-16-22(17-19-23)29(36)30(3,4)32(5)6;1-20(33)38-31-26(17-21-11-7-5-8-12-21)28(34)25-19-32(2)27-16-15-22(18-24(25)27)29(35)30(36-3,37-4)23-13-9-6-10-14-23;1-8-12-13-14-15-25(30-35-20(5)32)27(33)24-19-31(11-4)26-17-16-21(18-23(24)26)28(34)29(6,7)22(9-2)10-3/h12-14,16-17,19-22H,7-11,15,18H2,1-6H3;11-13,15-20H,7-10,14H2,1-6H3;6,9-10,13-16,18-19,21H,5,7-8,11-12,17H2,1-4H3;16-19,22H,8-15H2,1-7H3/b34-28+;2*31-26+;30-25+
• InChIKey: UKCAEOLXZACNHB-ZEMXZGRYSA-N
• XLogP: 25.89
• TPSA: 352.93 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 50
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.62
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate?

The IUPAC name of [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate (CID 172958341) is [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate.

What is the SMILES notation for [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate?

The canonical SMILES for [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate is CCCCCC/C(=N\OC(C)=O)C(=O)c1cn(-c2ccc(C(=O)C(C)(C)N(C)C)cc2)c2ccccc12.CCCCCC/C(=N\OC(C)=O)C(=O)c1cn(C(=O)c2ccccc2)c2ccc(C(=O)C(C)(C)N(CC)CC)cc12.CCCCCC/C(=N\OC(C)=O)C(=O)c1cn(CC)c2ccc(C(=O)C(C)(C)C(CC)CC)cc12.COC(OC)(C(=O)c1ccc2c(c1)c(C(=O)/C(CC1CCCCC1)=N/OC(C)=O)cn2C)c1ccccc1.

What is the InChIKey of [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate?

The InChIKey is UKCAEOLXZACNHB-ZEMXZGRYSA-N. The full InChI is InChI=1S/C33H41N3O5.C30H37N3O4.C30H34N2O6.C29H42N2O4/c1-7-10-11-15-18-28(34-41-23(4)37)30(38)27-22-36(32(40)24-16-13-12-14-17-24)29-20-19-25(21-26(27)29)31(39)33(5,6)35(8-2)9-3;1-7-8-9-10-14-26(31-37-21(2)34)28(35)25-20-33(27-15-12-11-13-24(25)27)23-18-16-22(17-19-23)29(36)30(3,4)32(5)6;1-20(33)38-31-26(17-21-11-7-5-8-12-21)28(34)25-19-32(2)27-16-15-22(18-24(25)27)29(35)30(36-3,37-4)23-13-9-6-10-14-23;1-8-12-13-14-15-25(30-35-20(5)32)27(33)24-19-31(11-4)26-17-16-21(18-23(24)26)28(34)29(6,7)22(9-2)10-3/h12-14,16-17,19-22H,7-11,15,18H2,1-6H3;11-13,15-20H,7-10,14H2,1-6H3;6,9-10,13-16,18-19,21H,5,7-8,11-12,17H2,1-4H3;16-19,22H,8-15H2,1-7H3/b34-28+;2*31-26+;30-25+.

What are the key properties of [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate?

[(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate has a molecular weight of 2064.62 g/mol, XLogP of 25.89, 50 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-[1-[1-benzoyl-5-[2-(diethylamino)-2-methylpropanoyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[3-cyclohexyl-1-[5-(2,2-dimethoxy-2-phenylacetyl)-1-methylindol-3-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[1-[1-[4-[2-(dimethylamino)-2-methylpropanoyl]phenyl]indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate;[(E)-[1-[1-ethyl-5-(3-ethyl-2,2-dimethylpentanoyl)indol-3-yl]-1-oxooctan-2-ylidene]amino] acetate is sourced from PubChem (CID 172958341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).