7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one

C222H260N8O31 — CID 159180592

IUPAC7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one
SMILESCC(=O)CNCCCOc1ccc2cc(CC(=O)c3ccc(C)c(CC=C(C)C)c3)c(=O)oc2c1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN(C)C4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN(C)c4ccccc4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNC4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNCC(N)=O)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNCCO)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNc4ccccc4)c(C)c3oc2=O)ccc1C
InChIInChI=1S/C34H43NO4.C34H37NO4.C33H41NO4.C33H35NO4.C30H35NO5.C29H34N2O5.C29H35NO5/c2*1-23(2)12-14-26-20-27(15-13-24(26)3)31(36)22-29-21-28-16-17-32(25(4)33(28)39-34(29)37)38-19-9-18-35(5)30-10-7-6-8-11-30;2*1-22(2)11-13-25-19-26(14-12-23(25)3)30(35)21-28-20-27-15-16-31(24(4)32(27)38-33(28)36)37-18-8-17-34-29-9-6-5-7-10-29;1-19(2)7-9-23-15-24(10-8-20(23)3)27(33)17-26-16-25-11-12-28(22(5)29(25)36-30(26)34)35-14-6-13-31-18-21(4)32;1-18(2)6-8-21-14-22(9-7-19(21)3)25(32)16-24-15-23-10-11-26(20(4)28(23)36-29(24)34)35-13-5-12-31-17-27(30)33;1-19(2)6-8-22-16-23(9-7-20(22)3)26(32)18-25-17-24-10-11-27(21(4)28(24)35-29(25)33)34-15-5-12-30-13-14-31/h12-13,15-17,20-21,30H,6-11,14,18-19,22H2,1-5H3;6-8,10-13,15-17,20-21H,9,14,18-19,22H2,1-5H3;11-12,14-16,19-20,29,34H,5-10,13,17-18,21H2,1-4H3;5-7,9-12,14-16,19-20,34H,8,13,17-18,21H2,1-4H3;7-8,10-12,15-16,31H,6,9,13-14,17-18H2,1-5H3;6-7,9-11,14-15,31H,5,8,12-13,16-17H2,1-4H3,(H2,30,33);6-7,9-11,16-17,30-31H,5,8,12-15,18H2,1-4H3
InChIKeyKMVJMZSADDAZSL-UHFFFAOYSA-N
MW3536.55 g/mol
LogP43.06
Rot. Bonds80

About 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one

7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one (PubChem CID 159180592) has the molecular formula C222H260N8O31 and a molecular weight of 3536.55 g/mol. Its IUPAC name is 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one.

Molecular Properties

Compound Name7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one
PubChem CID159180592
Molecular FormulaC222H260N8O31
Molecular Weight3536.55 g/mol
Exact Mass3533.90
IUPAC Name7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one
SMILESCC(=O)CNCCCOc1ccc2cc(CC(=O)c3ccc(C)c(CC=C(C)C)c3)c(=O)oc2c1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN(C)C4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN(C)c4ccccc4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNC4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNCC(N)=O)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNCCO)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNc4ccccc4)c(C)c3oc2=O)ccc1C
InChIInChI=1S/C34H43NO4.C34H37NO4.C33H41NO4.C33H35NO4.C30H35NO5.C29H34N2O5.C29H35NO5/c2*1-23(2)12-14-26-20-27(15-13-24(26)3)31(36)22-29-21-28-16-17-32(25(4)33(28)39-34(29)37)38-19-9-18-35(5)30-10-7-6-8-11-30;2*1-22(2)11-13-25-19-26(14-12-23(25)3)30(35)21-28-20-27-15-16-31(24(4)32(27)38-33(28)36)37-18-8-17-34-29-9-6-5-7-10-29;1-19(2)7-9-23-15-24(10-8-20(23)3)27(33)17-26-16-25-11-12-28(22(5)29(25)36-30(26)34)35-14-6-13-31-18-21(4)32;1-18(2)6-8-21-14-22(9-7-19(21)3)25(32)16-24-15-23-10-11-26(20(4)28(23)36-29(24)34)35-13-5-12-31-17-27(30)33;1-19(2)6-8-22-16-23(9-7-20(22)3)26(32)18-25-17-24-10-11-27(21(4)28(24)35-29(25)33)34-15-5-12-30-13-14-31/h12-13,15-17,20-21,30H,6-11,14,18-19,22H2,1-5H3;6-8,10-13,15-17,20-21H,9,14,18-19,22H2,1-5H3;11-12,14-16,19-20,29,34H,5-10,13,17-18,21H2,1-4H3;5-7,9-12,14-16,19-20,34H,8,13,17-18,21H2,1-4H3;7-8,10-12,15-16,31H,6,9,13-14,17-18H2,1-5H3;6-7,9-11,14-15,31H,5,8,12-13,16-17H2,1-4H3,(H2,30,33);6-7,9-11,16-17,30-31H,5,8,12-15,18H2,1-4H3
InChIKeyKMVJMZSADDAZSL-UHFFFAOYSA-N
XLogP43.06
TPSA542.59 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds80
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003536.55
LogP ≤ 543.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one?
The IUPAC name of 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one (CID 159180592) is 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one.
What is the SMILES notation for 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one?
The canonical SMILES for 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one is CC(=O)CNCCCOc1ccc2cc(CC(=O)c3ccc(C)c(CC=C(C)C)c3)c(=O)oc2c1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN(C)C4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN(C)c4ccccc4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNC4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNCC(N)=O)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNCCO)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCNc4ccccc4)c(C)c3oc2=O)ccc1C.
What is the InChIKey of 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one?
The InChIKey is KMVJMZSADDAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43NO4.C34H37NO4.C33H41NO4.C33H35NO4.C30H35NO5.C29H34N2O5.C29H35NO5/c2*1-23(2)12-14-26-20-27(15-13-24(26)3)31(36)22-29-21-28-16-17-32(25(4)33(28)39-34(29)37)38-19-9-18-35(5)30-10-7-6-8-11-30;2*1-22(2)11-13-25-19-26(14-12-23(25)3)30(35)21-28-20-27-15-16-31(24(4)32(27)38-33(28)36)37-18-8-17-34-29-9-6-5-7-10-29;1-19(2)7-9-23-15-24(10-8-20(23)3)27(33)17-26-16-25-11-12-28(22(5)29(25)36-30(26)34)35-14-6-13-31-18-21(4)32;1-18(2)6-8-21-14-22(9-7-19(21)3)25(32)16-24-15-23-10-11-26(20(4)28(23)36-29(24)34)35-13-5-12-31-17-27(30)33;1-19(2)6-8-22-16-23(9-7-20(22)3)26(32)18-25-17-24-10-11-27(21(4)28(24)35-29(25)33)34-15-5-12-30-13-14-31/h12-13,15-17,20-21,30H,6-11,14,18-19,22H2,1-5H3;6-8,10-13,15-17,20-21H,9,14,18-19,22H2,1-5H3;11-12,14-16,19-20,29,34H,5-10,13,17-18,21H2,1-4H3;5-7,9-12,14-16,19-20,34H,8,13,17-18,21H2,1-4H3;7-8,10-12,15-16,31H,6,9,13-14,17-18H2,1-5H3;6-7,9-11,14-15,31H,5,8,12-13,16-17H2,1-4H3,(H2,30,33);6-7,9-11,16-17,30-31H,5,8,12-15,18H2,1-4H3.
What are the key properties of 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one?
7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one has a molecular weight of 3536.55 g/mol, XLogP of 43.06, 80 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-anilinopropoxy)-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(cyclohexylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-[cyclohexyl(methyl)amino]propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;7-[3-(2-hydroxyethylamino)propoxy]-8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;8-methyl-7-[3-(N-methylanilino)propoxy]-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]chromen-2-one;2-[3-[8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-2-oxochromen-7-yl]oxypropylamino]acetamide;8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(2-oxopropylamino)propoxy]chromen-2-one is sourced from PubChem (CID 159180592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).