5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide

C180H255N5O20S3 — CID 159663635

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
SMILESCC(C(=O)CCC(=O)c1ccccc1)C1CC2CCC1C2.CC(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1ccccn1)C1CCCCC1.CC(C)(C(=O)CCC(O)c1ccccc1)C1CCCCC1.CC(C)(C(=O)CCCc1cccs1)C1CCCCC1.CCC(CC)[C@@H](C)C(=O)N(C)CC(=O)c1ccccc1.CN(CC(=O)c1cccs1)C(=O)C(C)(C)C1CCCCC1.COc1ccc(C(=O)CCC(=O)C(C)(C)C2CCCCC2)cc1.C[C@H](C(=O)CNC(=O)c1ccccc1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C20H29NO2.C20H28O3.C19H24O2.C19H28O2.C18H25NO2.C17H25NO2S.C17H23NO2.C17H25NO2.C17H26OS.C16H22O2S/c1-15-9-8-10-16(13-15)18(22)14-21(4)19(23)20(2,3)17-11-6-5-7-12-17;1-20(2,16-7-5-4-6-8-16)19(22)14-13-18(21)15-9-11-17(23-3)12-10-15;1-13(17-12-14-7-8-16(17)11-14)18(20)9-10-19(21)15-5-3-2-4-6-15;1-19(2,16-11-7-4-8-12-16)18(21)14-13-17(20)15-9-5-3-6-10-15;1-18(2,14-8-4-3-5-9-14)17(21)12-11-16(20)15-10-6-7-13-19-15;1-17(2,13-8-5-4-6-9-13)16(20)18(3)12-14(19)15-10-7-11-21-15;1-13(14-8-4-2-5-9-14)16(19)12-18-17(20)15-10-6-3-7-11-15;1-5-14(6-2)13(3)17(20)18(4)12-16(19)15-10-8-7-9-11-15;1-17(2,14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-19-15;1-12(13-6-3-2-4-7-13)14(17)9-10-15(18)16-8-5-11-19-16/h8-10,13,17H,5-7,11-12,14H2,1-4H3;9-12,16H,4-8,13-14H2,1-3H3;2-6,13-14,16-17H,7-12H2,1H3;3,5-6,9-10,16-17,20H,4,7-8,11-14H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;7,10-11,13H,4-6,8-9,12H2,1-3H3;3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H,18,20);7-11,13-14H,5-6,12H2,1-4H3;7,11,13-14H,3-6,8-10,12H2,1-2H3;5,8,11-13H,2-4,6-7,9-10H2,1H3/t;;;;;;2*13-;;/m......01../s1
InChIKeyMTCXVFOGIXLYPU-JXIHUCIHSA-N
MW2905.24 g/mol
LogP42.60
Rot. Bonds59

About 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide

5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide (PubChem CID 159663635) has the molecular formula C180H255N5O20S3 and a molecular weight of 2905.24 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
PubChem CID159663635
Molecular FormulaC180H255N5O20S3
Molecular Weight2905.24 g/mol
Exact Mass2902.83
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
SMILESCC(C(=O)CCC(=O)c1ccccc1)C1CC2CCC1C2.CC(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1ccccn1)C1CCCCC1.CC(C)(C(=O)CCC(O)c1ccccc1)C1CCCCC1.CC(C)(C(=O)CCCc1cccs1)C1CCCCC1.CCC(CC)[C@@H](C)C(=O)N(C)CC(=O)c1ccccc1.CN(CC(=O)c1cccs1)C(=O)C(C)(C)C1CCCCC1.COc1ccc(C(=O)CCC(=O)C(C)(C)C2CCCCC2)cc1.C[C@H](C(=O)CNC(=O)c1ccccc1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C20H29NO2.C20H28O3.C19H24O2.C19H28O2.C18H25NO2.C17H25NO2S.C17H23NO2.C17H25NO2.C17H26OS.C16H22O2S/c1-15-9-8-10-16(13-15)18(22)14-21(4)19(23)20(2,3)17-11-6-5-7-12-17;1-20(2,16-7-5-4-6-8-16)19(22)14-13-18(21)15-9-11-17(23-3)12-10-15;1-13(17-12-14-7-8-16(17)11-14)18(20)9-10-19(21)15-5-3-2-4-6-15;1-19(2,16-11-7-4-8-12-16)18(21)14-13-17(20)15-9-5-3-6-10-15;1-18(2,14-8-4-3-5-9-14)17(21)12-11-16(20)15-10-6-7-13-19-15;1-17(2,13-8-5-4-6-9-13)16(20)18(3)12-14(19)15-10-7-11-21-15;1-13(14-8-4-2-5-9-14)16(19)12-18-17(20)15-10-6-3-7-11-15;1-5-14(6-2)13(3)17(20)18(4)12-16(19)15-10-8-7-9-11-15;1-17(2,14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-19-15;1-12(13-6-3-2-4-7-13)14(17)9-10-15(18)16-8-5-11-19-16/h8-10,13,17H,5-7,11-12,14H2,1-4H3;9-12,16H,4-8,13-14H2,1-3H3;2-6,13-14,16-17H,7-12H2,1H3;3,5-6,9-10,16-17,20H,4,7-8,11-14H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;7,10-11,13H,4-6,8-9,12H2,1-3H3;3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H,18,20);7-11,13-14H,5-6,12H2,1-4H3;7,11,13-14H,3-6,8-10,12H2,1-2H3;5,8,11-13H,2-4,6-7,9-10H2,1H3/t;;;;;;2*13-;;/m......01../s1
InChIKeyMTCXVFOGIXLYPU-JXIHUCIHSA-N
XLogP42.60
TPSA371.36 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds59
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002905.24
LogP ≤ 542.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide with MolForge

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Related Compounds

6-hydroxy-5-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]-1H-pyrimidine-2,4-dione;1-(2-hydroxyphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(4-methoxy-3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;bis(1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione);bis(1-phenyl-4-thiophen-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-thiophen-2-ylbutane-1,4-dione
CID 158795391
2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
CID 159945594
2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
CID 160251022
(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)-3-methyl-2-pyridinyl]phenyl]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-(4-heptoxyphenyl)-3-methyl-2-pyridinyl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-(4-heptoxyphenyl)-2-pyridinyl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;methane
CID 160610533
6-hydroxy-5-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]-1H-pyrimidine-2,4-dione;1-(2-hydroxyphenyl)-4-thiophen-2-ylbutane-1,4-dione;1-(4-methoxy-3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione;bis(1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione);bis(1-(4-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione);bis(1-phenyl-4-thiophen-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-thiophen-2-ylbutane-1,4-dione
CID 160670076
1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide
CID 161020876
1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide
CID 161343421

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide (CID 159663635) is 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide is CC(C(=O)CCC(=O)c1ccccc1)C1CC2CCC1C2.CC(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1ccccn1)C1CCCCC1.CC(C)(C(=O)CCC(O)c1ccccc1)C1CCCCC1.CC(C)(C(=O)CCCc1cccs1)C1CCCCC1.CCC(CC)[C@@H](C)C(=O)N(C)CC(=O)c1ccccc1.CN(CC(=O)c1cccs1)C(=O)C(C)(C)C1CCCCC1.COc1ccc(C(=O)CCC(=O)C(C)(C)C2CCCCC2)cc1.C[C@H](C(=O)CNC(=O)c1ccccc1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)c1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
The InChIKey is MTCXVFOGIXLYPU-JXIHUCIHSA-N. The full InChI is InChI=1S/C20H29NO2.C20H28O3.C19H24O2.C19H28O2.C18H25NO2.C17H25NO2S.C17H23NO2.C17H25NO2.C17H26OS.C16H22O2S/c1-15-9-8-10-16(13-15)18(22)14-21(4)19(23)20(2,3)17-11-6-5-7-12-17;1-20(2,16-7-5-4-6-8-16)19(22)14-13-18(21)15-9-11-17(23-3)12-10-15;1-13(17-12-14-7-8-16(17)11-14)18(20)9-10-19(21)15-5-3-2-4-6-15;1-19(2,16-11-7-4-8-12-16)18(21)14-13-17(20)15-9-5-3-6-10-15;1-18(2,14-8-4-3-5-9-14)17(21)12-11-16(20)15-10-6-7-13-19-15;1-17(2,13-8-5-4-6-9-13)16(20)18(3)12-14(19)15-10-7-11-21-15;1-13(14-8-4-2-5-9-14)16(19)12-18-17(20)15-10-6-3-7-11-15;1-5-14(6-2)13(3)17(20)18(4)12-16(19)15-10-8-7-9-11-15;1-17(2,14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-19-15;1-12(13-6-3-2-4-7-13)14(17)9-10-15(18)16-8-5-11-19-16/h8-10,13,17H,5-7,11-12,14H2,1-4H3;9-12,16H,4-8,13-14H2,1-3H3;2-6,13-14,16-17H,7-12H2,1H3;3,5-6,9-10,16-17,20H,4,7-8,11-14H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;7,10-11,13H,4-6,8-9,12H2,1-3H3;3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H,18,20);7-11,13-14H,5-6,12H2,1-4H3;7,11,13-14H,3-6,8-10,12H2,1-2H3;5,8,11-13H,2-4,6-7,9-10H2,1H3/t;;;;;;2*13-;;/m......01../s1.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide has a molecular weight of 2905.24 g/mol, XLogP of 42.60, 59 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide is sourced from PubChem (CID 159663635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).