bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate

C150H209N9O37 — CID 159738657

IUPACbis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate
SMILESCCC(=O)CCCCCCC(=O)Oc1ccccc1.CCOC(=O)c1ccccc1OC(=O)CCCCCCC(=O)NC.CNC(=O)CCCCCCC(=O)Oc1ccc(C(C)=O)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(C(C)=O)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(C)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(OC)cc1OC.CNC(=O)CCCCCCC(=O)Oc1ccccc1C(=O)OC.CNC(=O)CCCCCCC(=O)Oc1ccccc1C(N)=O.CNC(=O)CCCCCCC(=O)Oc1ccccc1OC
InChIInChI=1S/C18H25NO5.C17H25NO5.C17H23NO5.2C17H23NO4.C16H22N2O4.C16H23NO4.C16H23NO3.C16H22O3/c1-3-23-18(22)14-10-8-9-11-15(14)24-17(21)13-7-5-4-6-12-16(20)19-2;1-18-16(19)8-6-4-5-7-9-17(20)23-14-11-10-13(21-2)12-15(14)22-3;1-18-15(19)11-5-3-4-6-12-16(20)23-14-10-8-7-9-13(14)17(21)22-2;2*1-13(19)14-9-11-15(12-10-14)22-17(21)8-6-4-3-5-7-16(20)18-2;1-18-14(19)10-4-2-3-5-11-15(20)22-13-9-7-6-8-12(13)16(17)21;1-17-15(18)11-5-3-4-6-12-16(19)21-14-10-8-7-9-13(14)20-2;1-13-9-11-14(12-10-13)20-16(19)8-6-4-3-5-7-15(18)17-2;1-2-14(17)10-6-3-4-9-13-16(18)19-15-11-7-5-8-12-15/h8-11H,3-7,12-13H2,1-2H3,(H,19,20);10-12H,4-9H2,1-3H3,(H,18,19);7-10H,3-6,11-12H2,1-2H3,(H,18,19);2*9-12H,3-8H2,1-2H3,(H,18,20);6-9H,2-5,10-11H2,1H3,(H2,17,21)(H,18,19);7-10H,3-6,11-12H2,1-2H3,(H,17,18);9-12H,3-8H2,1-2H3,(H,17,18);5,7-8,11-12H,2-4,6,9-10,13H2,1H3
InChIKeyNCDVLYBZUUTJBP-UHFFFAOYSA-N
MW2730.35 g/mol
LogP25.14
Rot. Bonds82

About bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate

bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate (PubChem CID 159738657) has the molecular formula C150H209N9O37 and a molecular weight of 2730.35 g/mol. Its IUPAC name is bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate.

Molecular Properties

Compound Namebis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate
PubChem CID159738657
Molecular FormulaC150H209N9O37
Molecular Weight2730.35 g/mol
Exact Mass2728.47
IUPAC Namebis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate
SMILESCCC(=O)CCCCCCC(=O)Oc1ccccc1.CCOC(=O)c1ccccc1OC(=O)CCCCCCC(=O)NC.CNC(=O)CCCCCCC(=O)Oc1ccc(C(C)=O)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(C(C)=O)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(C)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(OC)cc1OC.CNC(=O)CCCCCCC(=O)Oc1ccccc1C(=O)OC.CNC(=O)CCCCCCC(=O)Oc1ccccc1C(N)=O.CNC(=O)CCCCCCC(=O)Oc1ccccc1OC
InChIInChI=1S/C18H25NO5.C17H25NO5.C17H23NO5.2C17H23NO4.C16H22N2O4.C16H23NO4.C16H23NO3.C16H22O3/c1-3-23-18(22)14-10-8-9-11-15(14)24-17(21)13-7-5-4-6-12-16(20)19-2;1-18-16(19)8-6-4-5-7-9-17(20)23-14-11-10-13(21-2)12-15(14)22-3;1-18-15(19)11-5-3-4-6-12-16(20)23-14-10-8-7-9-13(14)17(21)22-2;2*1-13(19)14-9-11-15(12-10-14)22-17(21)8-6-4-3-5-7-16(20)18-2;1-18-14(19)10-4-2-3-5-11-15(20)22-13-9-7-6-8-12(13)16(17)21;1-17-15(18)11-5-3-4-6-12-16(19)21-14-10-8-7-9-13(14)20-2;1-13-9-11-14(12-10-13)20-16(19)8-6-4-3-5-7-15(18)17-2;1-2-14(17)10-6-3-4-9-13-16(18)19-15-11-7-5-8-12-15/h8-11H,3-7,12-13H2,1-2H3,(H,19,20);10-12H,4-9H2,1-3H3,(H,18,19);7-10H,3-6,11-12H2,1-2H3,(H,18,19);2*9-12H,3-8H2,1-2H3,(H,18,20);6-9H,2-5,10-11H2,1H3,(H2,17,21)(H,18,19);7-10H,3-6,11-12H2,1-2H3,(H,17,18);9-12H,3-8H2,1-2H3,(H,17,18);5,7-8,11-12H,2-4,6,9-10,13H2,1H3
InChIKeyNCDVLYBZUUTJBP-UHFFFAOYSA-N
XLogP25.14
TPSA644.09 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds82
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002730.35
LogP ≤ 525.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate with MolForge

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Related Compounds

(2-carbamoylphenyl) 4-(methylamino)butanoate
CID 175602268
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 158634652
ethyl 3-methoxy-4-pentanoyloxybenzoate
CID 91527974
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
(2-carbamoylphenyl) 5-[(3R)-dithiolan-3-yl]pentanoate;[2-(dimethylcarbamoyl)phenyl] 5-[(3R)-dithiolan-3-yl]pentanoate;2-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]benzoic acid;ethyl 2-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]benzoate;[2-(methylcarbamoyl)phenyl] 5-[(3R)-dithiolan-3-yl]pentanoate;methyl 2-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]benzoate
CID 160899096
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
methyl 2-butanoyloxybenzoate
CID 836876
[2-(3-oxobutanoyloxy)benzoyl]oxymethyl 2-methoxybenzoate
CID 59168438
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
CID 7705078

Frequently Asked Questions

What is the IUPAC name of bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate?
The IUPAC name of bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate (CID 159738657) is bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate.
What is the SMILES notation for bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate?
The canonical SMILES for bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate is CCC(=O)CCCCCCC(=O)Oc1ccccc1.CCOC(=O)c1ccccc1OC(=O)CCCCCCC(=O)NC.CNC(=O)CCCCCCC(=O)Oc1ccc(C(C)=O)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(C(C)=O)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(C)cc1.CNC(=O)CCCCCCC(=O)Oc1ccc(OC)cc1OC.CNC(=O)CCCCCCC(=O)Oc1ccccc1C(=O)OC.CNC(=O)CCCCCCC(=O)Oc1ccccc1C(N)=O.CNC(=O)CCCCCCC(=O)Oc1ccccc1OC.
What is the InChIKey of bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate?
The InChIKey is NCDVLYBZUUTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5.C17H25NO5.C17H23NO5.2C17H23NO4.C16H22N2O4.C16H23NO4.C16H23NO3.C16H22O3/c1-3-23-18(22)14-10-8-9-11-15(14)24-17(21)13-7-5-4-6-12-16(20)19-2;1-18-16(19)8-6-4-5-7-9-17(20)23-14-11-10-13(21-2)12-15(14)22-3;1-18-15(19)11-5-3-4-6-12-16(20)23-14-10-8-7-9-13(14)17(21)22-2;2*1-13(19)14-9-11-15(12-10-14)22-17(21)8-6-4-3-5-7-16(20)18-2;1-18-14(19)10-4-2-3-5-11-15(20)22-13-9-7-6-8-12(13)16(17)21;1-17-15(18)11-5-3-4-6-12-16(19)21-14-10-8-7-9-13(14)20-2;1-13-9-11-14(12-10-13)20-16(19)8-6-4-3-5-7-15(18)17-2;1-2-14(17)10-6-3-4-9-13-16(18)19-15-11-7-5-8-12-15/h8-11H,3-7,12-13H2,1-2H3,(H,19,20);10-12H,4-9H2,1-3H3,(H,18,19);7-10H,3-6,11-12H2,1-2H3,(H,18,19);2*9-12H,3-8H2,1-2H3,(H,18,20);6-9H,2-5,10-11H2,1H3,(H2,17,21)(H,18,19);7-10H,3-6,11-12H2,1-2H3,(H,17,18);9-12H,3-8H2,1-2H3,(H,17,18);5,7-8,11-12H,2-4,6,9-10,13H2,1H3.
What are the key properties of bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate?
bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate has a molecular weight of 2730.35 g/mol, XLogP of 25.14, 82 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-acetylphenyl) 8-(methylamino)-8-oxooctanoate);(2-carbamoylphenyl) 8-(methylamino)-8-oxooctanoate;(2,4-dimethoxyphenyl) 8-(methylamino)-8-oxooctanoate;ethyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(2-methoxyphenyl) 8-(methylamino)-8-oxooctanoate;methyl 2-[8-(methylamino)-8-oxooctanoyl]oxybenzoate;(4-methylphenyl) 8-(methylamino)-8-oxooctanoate;phenyl 8-oxodecanoate is sourced from PubChem (CID 159738657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).