1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one

C319H552N12O32 — CID 158125643

IUPAC1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one
SMILESCCCCCCCC(=O)CCC1CCCO1.CCCCCCCC(=O)CCCCN1CCOCC1.CCCCCCCC(=O)CCc1ccc2c(c1)OCO2.CCCCCCCC(=O)CCc1ccco1.CCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCC(=O)CCC1CCCO1.CCCCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCCCC(=O)CCc1ccco1.CCCCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCCCCC(=O)CCC1CCCO1.CCCCCCCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCCCCCCC(=O)CCc1ccco1.CCCCCCCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCCCCCCC(=O)Cc1ccccc1-n1cccc1
InChIInChI=1S/C24H35NO.C22H36O2.C21H39NO2.C20H36N2O.C19H30O2.C19H36O2.C19H32O2.C18H33NO2.C17H30N2O.C17H24O3.C17H26O2.C16H32N2O.C16H31NO2.C16H30O2.C16H26O2.C14H28N2O.C14H26O2.C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(26)21-22-16-12-13-18-24(22)25-19-14-15-20-25;1-2-3-4-5-6-7-8-9-10-11-12-22(24)19-21-15-13-20(14-16-21)17-18-23;1-2-3-4-5-6-7-8-9-10-11-15-20(23)16-12-13-18-22-19-14-17-21(22)24;1-2-3-4-5-6-7-8-9-10-11-14-20(23)15-12-13-17-22-18-16-21-19-22;1-2-3-4-5-6-7-8-9-19(21)16-18-12-10-17(11-13-18)14-15-20;2*1-2-3-4-5-6-7-8-9-10-11-13-18(20)15-16-19-14-12-17-21-19;1-2-3-4-5-6-7-8-12-17(20)13-9-10-15-19-16-11-14-18(19)21;1-2-3-4-5-6-7-8-11-17(20)12-9-10-14-19-15-13-18-16-19;1-2-3-4-5-6-7-15(18)10-8-14-9-11-16-17(12-14)20-13-19-16;1-2-3-4-5-6-7-17(19)14-16-10-8-15(9-11-16)12-13-18;1-2-3-4-5-6-7-8-11-16(19)17-12-15-18-13-9-10-14-18;1-2-3-4-5-6-9-16(18)10-7-8-11-17-12-14-19-15-13-17;2*1-2-3-4-5-6-7-8-10-15(17)12-13-16-11-9-14-18-16;1-2-3-4-5-6-9-14(17)15-10-13-16-11-7-8-12-16;2*1-2-3-4-5-6-8-13(15)10-11-14-9-7-12-16-14/h12-16,18-20H,2-11,17,21H2,1H3;13-16,23H,2-12,17-19H2,1H3;2-19H2,1H3;16,18-19H,2-15,17H2,1H3;10-13,20H,2-9,14-16H2,1H3;19H,2-17H2,1H3;12,14,17H,2-11,13,15-16H2,1H3;2-16H2,1H3;13,15-16H,2-12,14H2,1H3;9,11-12H,2-8,10,13H2,1H3;8-11,18H,2-7,12-14H2,1H3;2-15H2,1H3,(H,17,19);2-15H2,1H3;16H,2-14H2,1H3;9,11,14H,2-8,10,12-13H2,1H3;2-13H2,1H3,(H,15,17);14H,2-12H2,1H3;7,9,12H,2-6,8,10-11H2,1H3
InChIKeyFSDDATWNXNHYAL-UHFFFAOYSA-N
MW5067.98 g/mol
LogP84.66
Rot. Bonds217

About 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one

1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one (PubChem CID 158125643) has the molecular formula C319H552N12O32 and a molecular weight of 5067.98 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one
PubChem CID158125643
Molecular FormulaC319H552N12O32
Molecular Weight5067.98 g/mol
Exact Mass5064.19
IUPAC Name1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one
SMILESCCCCCCCC(=O)CCC1CCCO1.CCCCCCCC(=O)CCCCN1CCOCC1.CCCCCCCC(=O)CCc1ccc2c(c1)OCO2.CCCCCCCC(=O)CCc1ccco1.CCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCC(=O)CCC1CCCO1.CCCCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCCCC(=O)CCc1ccco1.CCCCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCCCCC(=O)CCC1CCCO1.CCCCCCCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCCCCCCC(=O)CCc1ccco1.CCCCCCCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCCCCCCC(=O)Cc1ccccc1-n1cccc1
InChIInChI=1S/C24H35NO.C22H36O2.C21H39NO2.C20H36N2O.C19H30O2.C19H36O2.C19H32O2.C18H33NO2.C17H30N2O.C17H24O3.C17H26O2.C16H32N2O.C16H31NO2.C16H30O2.C16H26O2.C14H28N2O.C14H26O2.C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(26)21-22-16-12-13-18-24(22)25-19-14-15-20-25;1-2-3-4-5-6-7-8-9-10-11-12-22(24)19-21-15-13-20(14-16-21)17-18-23;1-2-3-4-5-6-7-8-9-10-11-15-20(23)16-12-13-18-22-19-14-17-21(22)24;1-2-3-4-5-6-7-8-9-10-11-14-20(23)15-12-13-17-22-18-16-21-19-22;1-2-3-4-5-6-7-8-9-19(21)16-18-12-10-17(11-13-18)14-15-20;2*1-2-3-4-5-6-7-8-9-10-11-13-18(20)15-16-19-14-12-17-21-19;1-2-3-4-5-6-7-8-12-17(20)13-9-10-15-19-16-11-14-18(19)21;1-2-3-4-5-6-7-8-11-17(20)12-9-10-14-19-15-13-18-16-19;1-2-3-4-5-6-7-15(18)10-8-14-9-11-16-17(12-14)20-13-19-16;1-2-3-4-5-6-7-17(19)14-16-10-8-15(9-11-16)12-13-18;1-2-3-4-5-6-7-8-11-16(19)17-12-15-18-13-9-10-14-18;1-2-3-4-5-6-9-16(18)10-7-8-11-17-12-14-19-15-13-17;2*1-2-3-4-5-6-7-8-10-15(17)12-13-16-11-9-14-18-16;1-2-3-4-5-6-9-14(17)15-10-13-16-11-7-8-12-16;2*1-2-3-4-5-6-8-13(15)10-11-14-9-7-12-16-14/h12-16,18-20H,2-11,17,21H2,1H3;13-16,23H,2-12,17-19H2,1H3;2-19H2,1H3;16,18-19H,2-15,17H2,1H3;10-13,20H,2-9,14-16H2,1H3;19H,2-17H2,1H3;12,14,17H,2-11,13,15-16H2,1H3;2-16H2,1H3;13,15-16H,2-12,14H2,1H3;9,11-12H,2-8,10,13H2,1H3;8-11,18H,2-7,12-14H2,1H3;2-15H2,1H3,(H,17,19);2-15H2,1H3;16H,2-14H2,1H3;9,11,14H,2-8,10,12-13H2,1H3;2-13H2,1H3,(H,15,17);14H,2-12H2,1H3;7,9,12H,2-6,8,10-11H2,1H3
InChIKeyFSDDATWNXNHYAL-UHFFFAOYSA-N
XLogP84.66
TPSA577.72 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds217
Heavy Atoms363
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005067.98
LogP ≤ 584.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-[3-[3-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-5-yl]hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide;ethyl 4-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 158243138
4-[(E)-3-aminoprop-1-enyl]benzene-1,2-diol;(E)-3-(3-fluorophenyl)prop-2-en-1-amine;2-[(E)-3-(furan-2-yl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]isoindole-1,3-dione;2-[(E)-3-(1H-indol-3-yl)prop-2-enyl]isoindole-1,3-dione
CID 160114313
5-[4-(2-hydroxyethoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-hydroxy-N-[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide;5-[4-(3-hydroxy-2-oxopropyl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(imidazol-1-ylmethyl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-methyl-N-[2-oxo-2-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)anilino]ethyl]hexanamide;N-[2-oxo-2-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)anilino]ethyl]hexanamide
CID 161961985

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one (CID 158125643) is 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one is CCCCCCCC(=O)CCC1CCCO1.CCCCCCCC(=O)CCCCN1CCOCC1.CCCCCCCC(=O)CCc1ccc2c(c1)OCO2.CCCCCCCC(=O)CCc1ccco1.CCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCC(=O)CCC1CCCO1.CCCCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCCCC(=O)CCc1ccco1.CCCCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCCCCC(=O)CCC1CCCO1.CCCCCCCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCCCCCCC(=O)CCc1ccco1.CCCCCCCCCCCCC(=O)Cc1ccc(CCO)cc1.CCCCCCCCCCCCC(=O)Cc1ccccc1-n1cccc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one?
The InChIKey is FSDDATWNXNHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO.C22H36O2.C21H39NO2.C20H36N2O.C19H30O2.C19H36O2.C19H32O2.C18H33NO2.C17H30N2O.C17H24O3.C17H26O2.C16H32N2O.C16H31NO2.C16H30O2.C16H26O2.C14H28N2O.C14H26O2.C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-17-23(26)21-22-16-12-13-18-24(22)25-19-14-15-20-25;1-2-3-4-5-6-7-8-9-10-11-12-22(24)19-21-15-13-20(14-16-21)17-18-23;1-2-3-4-5-6-7-8-9-10-11-15-20(23)16-12-13-18-22-19-14-17-21(22)24;1-2-3-4-5-6-7-8-9-10-11-14-20(23)15-12-13-17-22-18-16-21-19-22;1-2-3-4-5-6-7-8-9-19(21)16-18-12-10-17(11-13-18)14-15-20;2*1-2-3-4-5-6-7-8-9-10-11-13-18(20)15-16-19-14-12-17-21-19;1-2-3-4-5-6-7-8-12-17(20)13-9-10-15-19-16-11-14-18(19)21;1-2-3-4-5-6-7-8-11-17(20)12-9-10-14-19-15-13-18-16-19;1-2-3-4-5-6-7-15(18)10-8-14-9-11-16-17(12-14)20-13-19-16;1-2-3-4-5-6-7-17(19)14-16-10-8-15(9-11-16)12-13-18;1-2-3-4-5-6-7-8-11-16(19)17-12-15-18-13-9-10-14-18;1-2-3-4-5-6-9-16(18)10-7-8-11-17-12-14-19-15-13-17;2*1-2-3-4-5-6-7-8-10-15(17)12-13-16-11-9-14-18-16;1-2-3-4-5-6-9-14(17)15-10-13-16-11-7-8-12-16;2*1-2-3-4-5-6-8-13(15)10-11-14-9-7-12-16-14/h12-16,18-20H,2-11,17,21H2,1H3;13-16,23H,2-12,17-19H2,1H3;2-19H2,1H3;16,18-19H,2-15,17H2,1H3;10-13,20H,2-9,14-16H2,1H3;19H,2-17H2,1H3;12,14,17H,2-11,13,15-16H2,1H3;2-16H2,1H3;13,15-16H,2-12,14H2,1H3;9,11-12H,2-8,10,13H2,1H3;8-11,18H,2-7,12-14H2,1H3;2-15H2,1H3,(H,17,19);2-15H2,1H3;16H,2-14H2,1H3;9,11,14H,2-8,10,12-13H2,1H3;2-13H2,1H3,(H,15,17);14H,2-12H2,1H3;7,9,12H,2-6,8,10-11H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one?
1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one has a molecular weight of 5067.98 g/mol, XLogP of 84.66, 217 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)decan-3-one;1-(furan-2-yl)decan-3-one;1-(furan-2-yl)dodecan-3-one;1-(furan-2-yl)pentadecan-3-one;1-[4-(2-hydroxyethyl)phenyl]nonan-2-one;1-[4-(2-hydroxyethyl)phenyl]tetradecan-2-one;1-[4-(2-hydroxyethyl)phenyl]undecan-2-one;1-imidazol-1-ylheptadecan-5-one;1-imidazol-1-yltetradecan-5-one;1-morpholin-4-yldodecan-5-one;1-(5-oxoheptadecyl)pyrrolidin-2-one;1-(oxolan-2-yl)decan-3-one;1-(oxolan-2-yl)dodecan-3-one;1-(oxolan-2-yl)pentadecan-3-one;1-(5-oxotetradecyl)pyrrolidin-2-one;N-(2-pyrrolidin-1-ylethyl)decanamide;N-(2-pyrrolidin-1-ylethyl)octanamide;1-(2-pyrrol-1-ylphenyl)tetradecan-2-one is sourced from PubChem (CID 158125643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).