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

C182H251N7O22S — CID 161343421

IUPAC1-(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
SMILESCC(C(=O)CCC(=O)c1ccccc1)=C1CCCCC1.CC(C)(C(=O)CCC(=O)c1ccc(O)cc1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O.CC1CCC(C(C)C(=O)N(C)CC(=O)c2ccccc2)C1.COc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.C[C@H](C(=O)N(C)CC(=O)C1=CC=CC1)C1CCCCC1.C[C@H](C(=O)N(C)CC(=O)c1cc[nH]c1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.O=C(CCC(=O)C1(C2CCCCC2)CCC1)c1ccccc1
InChIInChI=1S/C20H26O2.C19H27NO3.C19H25NO2.C19H27NO2.C19H26O3.C18H25NO2.C18H22O2.C17H25NO2.C17H24O2S.C16H24N2O2/c21-18(16-8-3-1-4-9-16)12-13-19(22)20(14-7-15-20)17-10-5-2-6-11-17;1-14(15-8-5-4-6-9-15)19(22)20(2)13-18(21)16-10-7-11-17(12-16)23-3;1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15;1-14-8-7-11-17(12-14)18(21)13-20(3)19(22)15(2)16-9-5-4-6-10-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;1-13-9-10-16(11-13)14(2)18(21)19(3)12-17(20)15-7-5-4-6-8-15;1-14(15-8-4-2-5-9-15)17(19)12-13-18(20)16-10-6-3-7-11-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,13-7-4-3-5-8-13)16(19)11-10-14(18)15-9-6-12-20-15;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14/h1,3-4,8-9,17H,2,5-7,10-15H2;7,10-12,14-15H,4-6,8-9,13H2,1-3H3;2,4-5,8-9,16H,3,6-7,10-14H2,1H3;7-8,11-12,15-16H,4-6,9-10,13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4-8,13-14,16H,9-12H2,1-3H3;3,6-7,10-11H,2,4-5,8-9,12-13H2,1H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;6,9,12-13H,3-5,7-8,10-11H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3/t;14-;;15-;;;;13-;;12-/m.0.0...0.0/s1
InChIKeyVMZBRGNFQUUAIY-QYQGPMRKSA-N
MW2921.10 g/mol
LogP39.37
Rot. Bonds53

About 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

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 (PubChem CID 161343421) has the molecular formula C182H251N7O22S and a molecular weight of 2921.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID161343421
Molecular FormulaC182H251N7O22S
Molecular Weight2921.10 g/mol
Exact Mass2918.85
IUPAC Name1-(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
SMILESCC(C(=O)CCC(=O)c1ccccc1)=C1CCCCC1.CC(C)(C(=O)CCC(=O)c1ccc(O)cc1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O.CC1CCC(C(C)C(=O)N(C)CC(=O)c2ccccc2)C1.COc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.C[C@H](C(=O)N(C)CC(=O)C1=CC=CC1)C1CCCCC1.C[C@H](C(=O)N(C)CC(=O)c1cc[nH]c1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.O=C(CCC(=O)C1(C2CCCCC2)CCC1)c1ccccc1
InChIInChI=1S/C20H26O2.C19H27NO3.C19H25NO2.C19H27NO2.C19H26O3.C18H25NO2.C18H22O2.C17H25NO2.C17H24O2S.C16H24N2O2/c21-18(16-8-3-1-4-9-16)12-13-19(22)20(14-7-15-20)17-10-5-2-6-11-17;1-14(15-8-5-4-6-9-15)19(22)20(2)13-18(21)16-10-7-11-17(12-16)23-3;1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15;1-14-8-7-11-17(12-14)18(21)13-20(3)19(22)15(2)16-9-5-4-6-10-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;1-13-9-10-16(11-13)14(2)18(21)19(3)12-17(20)15-7-5-4-6-8-15;1-14(15-8-4-2-5-9-15)17(19)12-13-18(20)16-10-6-3-7-11-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,13-7-4-3-5-8-13)16(19)11-10-14(18)15-9-6-12-20-15;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14/h1,3-4,8-9,17H,2,5-7,10-15H2;7,10-12,14-15H,4-6,8-9,13H2,1-3H3;2,4-5,8-9,16H,3,6-7,10-14H2,1H3;7-8,11-12,15-16H,4-6,9-10,13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4-8,13-14,16H,9-12H2,1-3H3;3,6-7,10-11H,2,4-5,8-9,12-13H2,1H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;6,9,12-13H,3-5,7-8,10-11H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3/t;14-;;15-;;;;13-;;12-/m.0.0...0.0/s1
InChIKeyVMZBRGNFQUUAIY-QYQGPMRKSA-N
XLogP39.37
TPSA406.09 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds53
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002921.10
LogP ≤ 539.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-cyclohexyl-N-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;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-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide
CID 158561637
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
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
(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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide
CID 161093895

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C(=O)CCC(=O)c1ccccc1)=C1CCCCC1.CC(C)(C(=O)CCC(=O)c1ccc(O)cc1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O.CC1CCC(C(C)C(=O)N(C)CC(=O)c2ccccc2)C1.COc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.C[C@H](C(=O)N(C)CC(=O)C1=CC=CC1)C1CCCCC1.C[C@H](C(=O)N(C)CC(=O)c1cc[nH]c1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.O=C(CCC(=O)C1(C2CCCCC2)CCC1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VMZBRGNFQUUAIY-QYQGPMRKSA-N. The full InChI is InChI=1S/C20H26O2.C19H27NO3.C19H25NO2.C19H27NO2.C19H26O3.C18H25NO2.C18H22O2.C17H25NO2.C17H24O2S.C16H24N2O2/c21-18(16-8-3-1-4-9-16)12-13-19(22)20(14-7-15-20)17-10-5-2-6-11-17;1-14(15-8-5-4-6-9-15)19(22)20(2)13-18(21)16-10-7-11-17(12-16)23-3;1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15;1-14-8-7-11-17(12-14)18(21)13-20(3)19(22)15(2)16-9-5-4-6-10-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;1-13-9-10-16(11-13)14(2)18(21)19(3)12-17(20)15-7-5-4-6-8-15;1-14(15-8-4-2-5-9-15)17(19)12-13-18(20)16-10-6-3-7-11-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,13-7-4-3-5-8-13)16(19)11-10-14(18)15-9-6-12-20-15;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14/h1,3-4,8-9,17H,2,5-7,10-15H2;7,10-12,14-15H,4-6,8-9,13H2,1-3H3;2,4-5,8-9,16H,3,6-7,10-14H2,1H3;7-8,11-12,15-16H,4-6,9-10,13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4-8,13-14,16H,9-12H2,1-3H3;3,6-7,10-11H,2,4-5,8-9,12-13H2,1H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;6,9,12-13H,3-5,7-8,10-11H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3/t;14-;;15-;;;;13-;;12-/m.0.0...0.0/s1.
What are the key properties of 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?
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 has a molecular weight of 2921.10 g/mol, XLogP of 39.37, 53 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161343421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).